diff --git a/.gitignore b/.gitignore
index 6d512d53..fed13a16 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,3 +1,5 @@
.vscode
**/tool_test_output.html
**/tool_test_output.json
+**/tmp*
+**/__pycache__
\ No newline at end of file
diff --git a/tools/tables/.shed.yml b/tools/tables/.shed.yml
new file mode 100644
index 00000000..19cbd631
--- /dev/null
+++ b/tools/tables/.shed.yml
@@ -0,0 +1,16 @@
+name: tables
+owner: recetox
+remote_repository_url: "https://github.com/RECETOX/galaxytools/tree/master/tools/analysis"
+homepage_url: "https://github.com/RECETOX/galaxytools"
+categories:
+ - Metabolomics
+ - Statistics
+description: "Tools to manipulate and analyze data tables."
+long_description: "Tools to manipulate and analyze data tables. Current tools include interpolation using scipy and arithmetic operations on tables with pandas."
+auto_tool_repositories:
+ name_template: "{{ tool_id }}"
+ description_template: "{{ tool_name }} tool from the general purpose data analysis suite developed by RECETOX."
+suite:
+ name: suite_table_tools
+ description: This tool suites contains tools for general purpose data analysis built on top of pandas, scipy, dplyr and others.
+ type: repository_suite_definition
\ No newline at end of file
diff --git a/tools/tables/table_pandas_arithmetics.py b/tools/tables/table_pandas_arithmetics.py
new file mode 100644
index 00000000..bffa5f5f
--- /dev/null
+++ b/tools/tables/table_pandas_arithmetics.py
@@ -0,0 +1,36 @@
+import argparse
+
+from utils import LoadDataAction, StoreOutputAction
+
+def perform_operation(df, column_index, operation, operand):
+ column_name = df.columns[column_index - 1] # Convert base-1 index to zero-based index
+ if operation == 'mul':
+ df[column_name] = df[column_name] * operand
+ elif operation == 'sub':
+ df[column_name] = df[column_name] - operand
+ elif operation == 'div':
+ df[column_name] = df[column_name] / operand
+ elif operation == 'add':
+ df[column_name] = df[column_name] + operand
+ elif operation == 'pow':
+ df[column_name] = df[column_name] ** operand
+ else:
+ raise ValueError(f"Unsupported operation: {operation}")
+ return df
+
+def main(input_dataset, column_index, operation, operand, output_dataset):
+ df = input_dataset
+ df = perform_operation(df, column_index, operation, operand)
+ write_func, file_path = output_dataset
+ write_func(df, file_path)
+
+if __name__ == "__main__":
+ parser = argparse.ArgumentParser(description='Perform arithmetic operations on a dataframe column.')
+ parser.add_argument('--input_dataset', nargs=2, action=LoadDataAction, required=True, help='Path to the input dataset and its file extension (csv, tsv, parquet)')
+ parser.add_argument('--column', type=int, required=True, help='Base-1 index of the column to perform the operation on')
+ parser.add_argument('--operation', type=str, choices=['mul', 'sub', 'div', 'add', 'pow'], required=True, help='Arithmetic operation to perform')
+ parser.add_argument('--operand', type=float, required=True, help='Operand for the arithmetic operation')
+ parser.add_argument('--output_dataset', nargs=2, action=StoreOutputAction, required=True, help='Path to the output dataset and its file extension (csv, tsv, parquet)')
+
+ args = parser.parse_args()
+ main(args.input_dataset, args.column, args.operation, args.operand, args.output_dataset)
\ No newline at end of file
diff --git a/tools/tables/table_pandas_arithmetics.xml b/tools/tables/table_pandas_arithmetics.xml
new file mode 100644
index 00000000..ebe87fc6
--- /dev/null
+++ b/tools/tables/table_pandas_arithmetics.xml
@@ -0,0 +1,55 @@
+
+ perform arithmetic operations on a dataframe column
+
+ 2.2.3
+ 0
+
+
+ pandas
+ pyarrow
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ This tool performs arithmetic operations on a specified column of a dataframe.
+ Supported operations are: multiply, subtract, divide, add, and power.
+
+
+ 10.5281/zenodo.3509134
+ 10.25080/Majora-92bf1922-00a
+
+
\ No newline at end of file
diff --git a/tools/tables/table_pandas_rename_column.py b/tools/tables/table_pandas_rename_column.py
new file mode 100644
index 00000000..17b86194
--- /dev/null
+++ b/tools/tables/table_pandas_rename_column.py
@@ -0,0 +1,30 @@
+import argparse
+import pandas as pd
+from utils import LoadDataAction, StoreOutputAction
+
+class KeyValuePairsAction(argparse.Action):
+ def __call__(self, parser, namespace, values, option_string=None):
+ key_value_pairs = {}
+ for item in values:
+ key, value = item.split('=')
+ key_value_pairs[int(key)] = value # Convert key to integer
+ setattr(namespace, self.dest, key_value_pairs)
+
+def rename_columns(df, rename_dict):
+ rename_map = {df.columns[key - 1]: value for key, value in rename_dict.items()} # Convert 1-based index to column name
+ return df.rename(columns=rename_map)
+
+def main(input_dataset, rename_dict, output_dataset):
+ df = input_dataset
+ df = rename_columns(df, rename_dict)
+ write_func, file_path = output_dataset
+ write_func(df, file_path)
+
+if __name__ == "__main__":
+ parser = argparse.ArgumentParser(description='Rename columns in a dataframe.')
+ parser.add_argument('--input_dataset', nargs=2, action=LoadDataAction, required=True, help='Path to the input dataset and its file extension (csv, tsv, parquet)')
+ parser.add_argument('--rename', nargs='+', action=KeyValuePairsAction, required=True, help='List of key=value pairs with 1-based column index as key and new column name as value')
+ parser.add_argument('--output_dataset', nargs=2, action=StoreOutputAction, required=True, help='Path to the output dataset and its file extension (csv, tsv, parquet)')
+
+ args = parser.parse_args()
+ main(args.input_dataset, args.rename, args.output_dataset)
\ No newline at end of file
diff --git a/tools/tables/table_pandas_rename_column.xml b/tools/tables/table_pandas_rename_column.xml
new file mode 100644
index 00000000..32714e06
--- /dev/null
+++ b/tools/tables/table_pandas_rename_column.xml
@@ -0,0 +1,75 @@
+
+ of a table
+
+
+ 2.2.3
+ 0
+
+
+
+
+
+ pandas
+
+
+
+
+
+
+
+
+
+
+
+
+ [0-9a-zA-Z_]+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ 10.5281/zenodo.3509134
+
+
\ No newline at end of file
diff --git a/tools/tables/table_scipy_interpolate.py b/tools/tables/table_scipy_interpolate.py
new file mode 100644
index 00000000..c36ae26a
--- /dev/null
+++ b/tools/tables/table_scipy_interpolate.py
@@ -0,0 +1,46 @@
+import argparse
+import numpy as np
+from scipy.interpolate import CubicSpline, PchipInterpolator, Akima1DInterpolator
+
+from utils import LoadDataAction, StoreOutputAction
+
+class InterpolationModelAction(argparse.Action):
+ def __call__(self, parser, namespace, values, option_string=None):
+ interpolators = {
+ "linear": np.interp,
+ "cubic": CubicSpline,
+ "pchip": PchipInterpolator,
+ "akima": Akima1DInterpolator
+ }
+ if values not in interpolators:
+ raise ValueError(f"Unknown interpolation method: {values}")
+ setattr(namespace, self.dest, interpolators[values])
+
+
+def main(reference, query, x_col, y_col, xnew_col, model, output_dataset):
+ # Index is passed with base 1 so we need to subtract 1 to get the correct column names
+ x_col = reference.columns[x_col - 1]
+ y_col = reference.columns[y_col - 1]
+ xnew_col = query.columns[xnew_col - 1]
+
+ if model == np.interp:
+ query[y_col] = model(query[xnew_col], reference[x_col], reference[y_col])
+ else:
+ model_instance = model(reference[x_col], reference[y_col])
+ query[y_col] = model_instance(query[xnew_col]).astype(float)
+
+ write_func, file_path = output_dataset
+ write_func(query, file_path)
+
+if __name__ == "__main__":
+ parser = argparse.ArgumentParser(description='Interpolate data using various methods.')
+ parser.add_argument('--reference_dataset', nargs=2, action=LoadDataAction, required=True, help='Path to the reference dataset and its file extension (csv, tsv, parquet)')
+ parser.add_argument('--query_dataset', nargs=2, action=LoadDataAction, required=True, help='Path to the query dataset and its file extension (csv, tsv, parquet)')
+ parser.add_argument('--x_col', type=int, required=True, help='Index of the x column in the reference dataset (1-based)')
+ parser.add_argument('--y_col', type=int, required=True, help='Index of the y column in the reference dataset (1-based)')
+ parser.add_argument('--xnew_col', type=int, required=True, help='Index of the x column in the query dataset (1-based)')
+ parser.add_argument('--method', type=str, choices=['linear', 'cubic', 'pchip', 'akima'], action=InterpolationModelAction, required=True, help='Interpolation method')
+ parser.add_argument('--output_dataset', nargs=2, action=StoreOutputAction, required=True, help='Path to the output dataset and its file extension (csv, tsv, parquet)')
+
+ args = parser.parse_args()
+ main(args.reference_dataset, args.query_dataset, args.x_col, args.y_col, args.xnew_col, args.method, args.output_dataset)
\ No newline at end of file
diff --git a/tools/tables/table_scipy_interpolate.xml b/tools/tables/table_scipy_interpolate.xml
new file mode 100644
index 00000000..99d79ac8
--- /dev/null
+++ b/tools/tables/table_scipy_interpolate.xml
@@ -0,0 +1,88 @@
+
+ interpolate data using the scipy.interpolate library
+
+
+ 1.14.1
+ 0
+
+
+
+
+
+ scipy
+ pandas
+ pyarrow
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ 10.25080/Majora-92bf1922-00a
+ 10.1038/s41592-019-0686-2
+
+
\ No newline at end of file
diff --git a/tools/tables/test-data/arithmetics/query_divide_ri.tabular b/tools/tables/test-data/arithmetics/query_divide_ri.tabular
new file mode 100644
index 00000000..1794b5a1
--- /dev/null
+++ b/tools/tables/test-data/arithmetics/query_divide_ri.tabular
@@ -0,0 +1,266 @@
+precursor_mz license retention_index authors compound_name
+362.18381 CC BY-NC 25.207359999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 2
+489.1889 CC BY-NC 25.66364 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_TMS derivative
+434.22321 CC BY-NC 24.15476 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_3TMS
+362.18381 CC BY-NC 24.75613 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 1
+136.05856 CC BY-NC 14.43328 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide
+261.06659 CC BY-NC 13.76073 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_2TMS
+201.11786 CC BY-NC 12.92953 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_1TMS
+194.06293 CC BY-NC 13.16816 Price et al., RECETOX, Masaryk University (CZ) Nicotinic acid_1TMS
+362.16293 CC BY-NC 16.64769 Price et al., RECETOX, Masaryk University (CZ) Ribose_4TMS
+342.13101 CC BY-NC 18.92004 Price et al., RECETOX, Masaryk University (CZ) Syringic acid_2TMS
+367.16711 CC BY-NC 21.18982 Price et al., RECETOX, Masaryk University (CZ) Guanine_3TMS
+439.20303 CC BY-NC 21.750410000000002 Price et al., RECETOX, Masaryk University (CZ) Guanine_4TMS
+260.14963 CC BY-NC 12.829749999999999 Price et al., RECETOX, Masaryk University (CZ) Leucine_2TMS
+458.17902 CC BY-NC 19.51021 Price et al., RECETOX, Masaryk University (CZ) Gallic acid_4TMS
+396.16028 CC BY-NC 21.313290000000002 Price et al., RECETOX, Masaryk University (CZ) trans-Caffeic acid_3TMS
+396.1604 CC BY-NC 19.7529 Price et al., RECETOX, Masaryk University (CZ) cis-Caffeic acid_3TMS
+525.24902 CC BY-NC 20.717660000000002 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 1
+579.297 CC BY-NC 20.81004 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 2
+326.1362 CC BY-NC 17.61149 Price et al., RECETOX, Masaryk University (CZ) 4-Hydroxy-3methoxyphenylacetic acid_2TMS
+278.12305 CC BY-NC 13.17247 Price et al., RECETOX, Masaryk University (CZ) Glycine_3TMS
+270.12137 CC BY-NC 14.02643 Price et al., RECETOX, Masaryk University (CZ) Thymine_2TMS
+348.1713 CC BY-NC 16.58764 Price et al., RECETOX, Masaryk University (CZ) Asparagine_3TMS
+368.1339 CC BY-NC 14.998520000000001 Price et al., RECETOX, Masaryk University (CZ) Asparagine_2TMS
+420.21198 CC BY-NC 15.98743 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 1
+420.21072 CC BY-NC 16.19979 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 2
+320.15897 CC BY-NC 17.82981 Price et al., RECETOX, Masaryk University (CZ) Azelaic acid_2TMS
+319.14154 CC BY-NC 19.60418 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_2TMS
+245.10255 CC BY-NC 19.19926 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_1TMS
+355.1398 CC BY-NC 21.19143 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_2TMS
+426.17551 CC BY-NC 20.85942 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_3TMS
+518.24091 CC BY-NC 19.00622 Price et al., RECETOX, Masaryk University (CZ) Allantoin_5TMS
+446.20102 CC BY-NC 18.77684 Price et al., RECETOX, Masaryk University (CZ) Allantoin_4TMS
+374.16168 CC BY-NC 20.65527 Price et al., RECETOX, Masaryk University (CZ) Allantoin_3TMS
+252.10365 CC BY-NC 19.88727 Price et al., RECETOX, Masaryk University (CZ) Theobromine_1TMS
+473.1601 CC BY-NC 23.10707 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 1
+472.16409 CC BY-NC 23.324119999999997 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 2
+434.21536 CC BY-NC 19.36412 Price et al., RECETOX, Masaryk University (CZ) Galactitol_6TMS
+422.21552 CC BY-NC 17.13998 Price et al., RECETOX, Masaryk University (CZ) Ribitol_5TMS
+363.17084 CC BY-NC 16.11723 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 2
+273.12088 CC BY-NC 15.19766 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS
+285.13287 CC BY-NC 15.284590000000001 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_2TMS
+460.40933 CC BY-NC 31.951610000000002 Price et al., RECETOX, Masaryk University (CZ) Cholestanol_1TMS
+249.07844 CC BY-NC 13.18455 Price et al., RECETOX, Masaryk University (CZ) Succinic acid_1TMS
+598.29169 CC BY-NC 27.34555 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 1
+624.3072 CC BY-NC 27.62246 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 2
+292.13931 CC BY-NC 13.66752 Price et al., RECETOX, Masaryk University (CZ) Alanine_3TMS
+227.02199 CC BY-NC 11.33662 Price et al., RECETOX, Masaryk University (CZ) Alanine_2TMS
+232.07872 CC BY-NC 17.72129 Price et al., RECETOX, Masaryk University (CZ) Indole-2-carboxylic acid_1TMS
+273.11054 CC BY-NC 12.23943 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_2TMS
+415.03641 CC BY-NC 17.22841 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_4TMS
+300.2475 CC BY-NC 18.39995 Price et al., RECETOX, Masaryk University (CZ) Myristic acid_1TMS
+306.13684 CC BY-NC 15.12481 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer
+333.15714 CC BY-NC 20.804050000000004 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid
+261.11783 CC BY-NC 20.3159 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid_1TMS
+305.12579 CC BY-NC 20.2371 Price et al., RECETOX, Masaryk University (CZ) Indole-3-carboxylic acid_2TMS
+451.18115 CC BY-NC 18.74721 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,5-lactone
+466.20514 CC BY-NC 18.88373 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,4-lactone
+614.27368 CC BY-NC 19.94983 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid_6TMS
+377.16287 CC BY-NC 19.17593 Price et al., RECETOX, Masaryk University (CZ) Gluconolactone
+208.0979 CC BY-NC 14.56937 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide_1TMS
+466.22858 CC BY-NC 18.77592 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 1
+448.21866 CC BY-NC 18.95569 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 2
+376.19946 CC BY-NC 23.847150000000003 Price et al., RECETOX, Masaryk University (CZ) Melatonin_2TMS
+304.15997 CC BY-NC 24.457130000000003 Price et al., RECETOX, Masaryk University (CZ) Melatonin_1TMS
+543.21246 CC BY-NC 25.64368 Price et al., RECETOX, Masaryk University (CZ) Inosine_4TMS
+242.02328 CC BY-NC 14.338119999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_1TMS
+304.15579 CC BY-NC 14.21252 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_2TMS
+268.11243 CC BY-NC 17.08024 Price et al., RECETOX, Masaryk University (CZ) Homoveratric_acid_1TMS
+434.2149 CC BY-NC 19.25111 Price et al., RECETOX, Masaryk University (CZ) Mannitol_6TMS
+222.14323 CC BY-NC 13.21728 Price et al., RECETOX, Masaryk University (CZ) Thymol_1TMS
+406.18625 CC BY-NC 22.125210000000003 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_3TMS
+331.14139 CC BY-NC 21.53768 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_2TMS
+378.10901 CC BY-NC 17.33549 Price et al., RECETOX, Masaryk University (CZ) trans-Aconitic acid_3TMS
+468.37778 CC BY-NC 32.64982 Price et al., RECETOX, Masaryk University (CZ) Ergosterol_1TMS
+277.10928 CC BY-NC 14.212919999999999 Price et al., RECETOX, Masaryk University (CZ) 3-Methylglutaric acid_2TMS
+396.19299 CC BY-NC 17.0747 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS
+413.3653 CC BY-NC 33.00418 Price et al., RECETOX, Masaryk University (CZ) Cholestenone
+434.21451 CC BY-NC 19.32941 Price et al., RECETOX, Masaryk University (CZ) Sorbitol_6TMS
+269.13876 CC BY-NC 12.9949 Price et al., RECETOX, Masaryk University (CZ) Isoleucine_2TMS
+464.2132 CC BY-NC 18.61884 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 1
+555.26501 CC BY-NC 18.71707 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 2
+249.05966 CC BY-NC 13.50603 Price et al., RECETOX, Masaryk University (CZ) Fumaric acid_2TMS
+468.15952 CC BY-NC 18.01269 Price et al., RECETOX, Masaryk University (CZ) Isocitric acid_4TMS
+204.09969 CC BY-NC 12.46784 Price et al., RECETOX, Masaryk University (CZ) Urea_2TMS
+276.15033 CC BY-NC 11.99655 Price et al., RECETOX, Masaryk University (CZ) Urea_3TMS
+643.29096 CC BY-NC 27.61007 Price et al., RECETOX, Masaryk University (CZ) Guanosine_5TMS
+371.18732 CC BY-NC 19.14512 Price et al., RECETOX, Masaryk University (CZ) Histidine_3TMS
+443.22736 CC BY-NC 21.468670000000003 Price et al., RECETOX, Masaryk University (CZ) Histidine_4TMS
+421.19458 CC BY-NC 16.40562 Price et al., RECETOX, Masaryk University (CZ) Xylose_4TMS
+190.07045 CC BY-NC 12.69712 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_1TMS
+392.20975 CC BY-NC 19.40186 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_3TMS
+384.16013 CC BY-NC 18.15935 Price et al., RECETOX, Masaryk University (CZ) 3,4-Dihydroxybenzeneacetic acid_3TMS
+476.27365 CC BY-NC 18.70232 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_4TMS
+318.15744 CC BY-NC 20.988400000000002 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_2TMS
+389.18936 CC BY-NC 20.48997 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_3TMS
+520.3761 CC BY-NC 32.90675 Price et al., RECETOX, Masaryk University (CZ) Lithocholic acid_2TMS
+464.2132 CC BY-NC 18.68664 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 1
+402.17654 CC BY-NC 18.95068 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 2
+390.23691 CC BY-NC 22.742649999999998 Price et al., RECETOX, Masaryk University (CZ) Tetradecanedioic acid_2TMS
+596.39124 CC BY-NC 37.06675 Price et al., RECETOX, Masaryk University (CZ) Deoxycholic acid_3TMS
+396.19266 CC BY-NC 17.06712 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS
+459.14395 CC BY-NC 18.201790000000003 Price et al., RECETOX, Masaryk University (CZ) Phosphoserine_4TMS
+337.11273 CC BY-NC 14.79336 Price et al., RECETOX, Masaryk University (CZ) Malic acid_3TMS
+256.10553 CC BY-NC 13.40716 Price et al., RECETOX, Masaryk University (CZ) Uracil_2TMS
+555.25403 CC BY-NC 26.267229999999998 Price et al., RECETOX, Masaryk University (CZ) Adenosine_4TMS
+627.2951 CC BY-NC 26.948249999999998 Price et al., RECETOX, Masaryk University (CZ) Adenosine_5TMS
+324.98636 CC BY-NC 19.250799999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_2TMS
+476.2366 CC BY-NC 18.50038 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_4TMS
+308.15137 CC BY-NC 15.26173 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_3TMS
+401.98407 CC BY-NC 17.44992 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_3TMS
+247.11795 CC BY-NC 12.677650000000002 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_2TMS
+219.10622 CC BY-NC 11.60418 Price et al., RECETOX, Masaryk University (CZ) Sarcosine_2TMS
+262.10492 CC BY-NC 12.26577 Price et al., RECETOX, Masaryk University (CZ) 2-Methylmalonic acid_2TMS
+273.12122 CC BY-NC 15.18258 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS
+391.166 CC BY-NC 16.54213 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_3TMS
+330.10126 CC BY-NC 16.62921 Price et al., RECETOX, Masaryk University (CZ) Taurine_3TMS
+508.25763 CC BY-NC 20.813139999999997 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_4TMS
+467.15692 CC BY-NC 18.00533 Price et al., RECETOX, Masaryk University (CZ) Citric acid_4TMS
+581.29388 CC BY-NC 20.68947 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 1
+372.12848 CC BY-NC 17.3 Price et al., RECETOX, Masaryk University (CZ) Orotic acid_3TMS
+434.20194 CC BY-NC 20.910439999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 2
+373.20316 CC BY-NC 18.0872 Price et al., RECETOX, Masaryk University (CZ) Arginine_3TMS
+539.2533 CC BY-NC 35.4185 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 1
+648.42804 CC BY-NC 35.77725 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 2
+410.17297 CC BY-NC 15.48223 Price et al., RECETOX, Masaryk University (CZ) Threonic acid_4TMS
+325.00406 CC BY-NC 13.83911 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 2
+334.17438 CC BY-NC 18.842850000000002 Price et al., RECETOX, Masaryk University (CZ) Sebacid acid_2TMS
+312.11047 CC BY-NC 15.99903 Price et al., RECETOX, Masaryk University (CZ) Hypotaurine_3TMS
+333.12225 CC BY-NC 20.64473 Price et al., RECETOX, Masaryk University (CZ) Kynurenic acid_2TMS
+390.21848 CC BY-NC 17.514860000000002 Price et al., RECETOX, Masaryk University (CZ) Theanine_3TMS
+318.1786 CC BY-NC 17.67969 Price et al., RECETOX, Masaryk University (CZ) Theanine_2TMS
+311.11298 CC BY-NC 16.911379999999998 Price et al., RECETOX, Masaryk University (CZ) 4-Methoxymandelic acid_2TMS
+404.23398 CC BY-NC 20.991770000000002 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_3TMS
+476.27362 CC BY-NC 20.62792 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_4TMS
+298.28644 CC BY-NC 21.230880000000003 Price et al., RECETOX, Masaryk University (CZ) Methyl stearate
+334.18509 CC BY-NC 17.18079 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_3TMS
+275.17328 CC BY-NC 14.89369 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_2TMS
+305.14038 CC BY-NC 16.86939 Price et al., RECETOX, Masaryk University (CZ) Suberic acid_2TMS
+234.10721 CC BY-NC 15.64514 Price et al., RECETOX, Masaryk University (CZ) alpha-Methylcinammic acid_1TMS
+250.96794 CC BY-NC 13.0831 Price et al., RECETOX, Masaryk University (CZ) Maleic acid_2TMS
+334.14865 CC BY-NC 15.131310000000001 Price et al., RECETOX, Masaryk University (CZ) Hydroxyproline_3TMS
+498.91568 CC BY-NC 22.72319 Price et al., RECETOX, Masaryk University (CZ) Cystine_4TMS
+260.14963 CC BY-NC 13.168510000000001 Price et al., RECETOX, Masaryk University (CZ) Norleucine_2TMS
+329.17691 CC BY-NC 15.45214 Price et al., RECETOX, Masaryk University (CZ) Creatinine_3TMS
+338.13629 CC BY-NC 20.775940000000002 Price et al., RECETOX, Masaryk University (CZ) Ferulic acid_2TMS
+263.09412 CC BY-NC 13.960820000000002 Price et al., RECETOX, Masaryk University (CZ) Glutaric acid_2TMS
+293.12958 CC BY-NC 15.08447 Price et al., RECETOX, Masaryk University (CZ) Methionine_2TMS
+340.14175 CC BY-NC 22.749720000000003 Price et al., RECETOX, Masaryk University (CZ) Cysteine_4TMS
+335.18893 CC BY-NC 15.42761 Price et al., RECETOX, Masaryk University (CZ) Cysteine_3TMS
+305.15805 CC BY-NC 14.205060000000001 Price et al., RECETOX, Masaryk University (CZ) beta-Alanine_3TMS
+263.10043 CC BY-NC 16.74306 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_1TMS
+335.06458 CC BY-NC 16.53322 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_2TMS
+434.26306 CC BY-NC 19.08314 Price et al., RECETOX, Masaryk University (CZ) Lysine_4TMS
+362.22369 CC BY-NC 16.87725 Price et al., RECETOX, Masaryk University (CZ) Lysine_3TMS
+381.16385 CC BY-NC 17.64405 Price et al., RECETOX, Masaryk University (CZ) Methionine sulfoxide_3TMS
+261.10855 CC BY-NC 12.260340000000001 Price et al., RECETOX, Masaryk University (CZ) Valine_2TMS
+390.15857 CC BY-NC 18.83896 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 1
+388.14252 CC BY-NC 19.22836 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 2
+451.21841 CC BY-NC 26.14971 Price et al., RECETOX, Masaryk University (CZ) Sucrose_8TMS
+267.11365 CC BY-NC 13.37622 Price et al., RECETOX, Masaryk University (CZ) Itaconic acid_2TMS
+462.20978 CC BY-NC 17.82877 Price et al., RECETOX, Masaryk University (CZ) Shikimic acid_4TMS
+469.23215 CC BY-NC 19.48663 Price et al., RECETOX, Masaryk University (CZ) Epinepherine_4TMS
+305.16257 CC BY-NC 18.83718 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_2TMS
+232.11545 CC BY-NC 18.21623 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_1TMS
+383.16971 CC BY-NC 19.25553 Price et al., RECETOX, Masaryk University (CZ) Tyrosine_3TMS
+419.12936 CC BY-NC 20.58391 Price et al., RECETOX, Masaryk University (CZ) 3-Chlorotyrosine_3TMS
+229.11282 CC BY-NC 15.22196 Price et al., RECETOX, Masaryk University (CZ) Acetylproline_1TMS
+312.1207 CC BY-NC 17.46645 Price et al., RECETOX, Masaryk University (CZ) Vanillic acid_2TMS
+335.17609 CC BY-NC 14.38379 Price et al., RECETOX, Masaryk University (CZ) Homoserine_3TMS
+404.14093 CC BY-NC 16.58598 Price et al., RECETOX, Masaryk University (CZ) Homoserine_4TMS
+384.16022 CC BY-NC 18.134159999999998 Price et al., RECETOX, Masaryk University (CZ) Homogentisic acid_3TMS
+418.99484 CC BY-NC 25.0527 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_4TMS
+351.15323 CC BY-NC 16.45979 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_3TMS
+464.18985 CC BY-NC 19.32408 Price et al., RECETOX, Masaryk University (CZ) Ascorbic acid_4TMS
+498.86856 CC BY-NC 27.28015 Price et al., RECETOX, Masaryk University (CZ) Spermine_6TMS
+578.1349 CC BY-NC 22.383319999999998 Price et al., RECETOX, Masaryk University (CZ) Spermine_derivative
+484.40952 CC BY-NC 32.80406 Price et al., RECETOX, Masaryk University (CZ) Stigmasterol_1TMS
+194.07974 CC BY-NC 18.439970000000002 Price et al., RECETOX, Masaryk University (CZ) Caffeine
+509.22403 CC BY-NC 20.77476 Price et al., RECETOX, Masaryk University (CZ) Myo-inositol_6TMS
+176.09434 CC BY-NC 17.04209 Price et al., RECETOX, Masaryk University (CZ) Cotinine
+372.27695 CC BY-NC 29.407069999999997 Price et al., RECETOX, Masaryk University (CZ) Progesterone
+266.10165 CC BY-NC 17.91219 Price et al., RECETOX, Masaryk University (CZ) Acetylphenylalanine_1TMS
+351.16812 CC BY-NC 17.73636 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_2TMS
+456.18604 CC BY-NC 20.792170000000002 Price et al., RECETOX, Masaryk University (CZ) Uric acid_4TMS
+261.0784 CC BY-NC 13.44988 Price et al., RECETOX, Masaryk University (CZ) Citraconic acid_2TMS
+314.08749 CC BY-NC 17.08782 Price et al., RECETOX, Masaryk University (CZ) Quinolinic aicd_2TMS
+405.18152 CC BY-NC 17.36717 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_3TMS
+320.11572 CC BY-NC 17.59747 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_2TMS
+464.252 CC BY-NC 24.461550000000003 Price et al., RECETOX, Masaryk University (CZ) Serotonin_4TMS
+390.19714 CC BY-NC 24.74028 Price et al., RECETOX, Masaryk University (CZ) Serotonin_3TMS
+368.15134 CC BY-NC 19.98854 Price et al., RECETOX, Masaryk University (CZ) Xanthine_3TMS
+308.13397 CC BY-NC 13.53518 Price et al., RECETOX, Masaryk University (CZ) Serine_3TMS
+380.17392 CC BY-NC 15.599210000000001 Price et al., RECETOX, Masaryk University (CZ) Serine_4TMS
+462.21869 CC BY-NC 23.62292 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_3TMS
+390.17914 CC BY-NC 24.179789999999997 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 1
+503.2298 CC BY-NC 24.79712 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_derivative
+386.14746 CC BY-NC 25.318 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 2
+304.17181 CC BY-NC 19.506590000000003 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_2TMS
+475.0034 CC BY-NC 21.37466 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_derivative
+359.02829 CC BY-NC 21.9785 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS
+374.20206 CC BY-NC 22.10789 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS
+416.25623 CC BY-NC 26.840390000000003 Price et al., RECETOX, Masaryk University (CZ) Estradiol_2TMS
+414.24042 CC BY-NC 27.173270000000002 Price et al., RECETOX, Masaryk University (CZ) Dehydroestradiol_2TMS
+426.20065 CC BY-NC 21.742289999999997 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_3TMS
+484.6163 CC BY-NC 21.27988 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_4TMS
+363.17108 CC BY-NC 16.038130000000002 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 1
+328.2792 CC BY-NC 20.317539999999997 Price et al., RECETOX, Masaryk University (CZ) Palmitic acid_1TMS
+350.14514 CC BY-NC 21.492800000000003 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_2TMS
+341.01743 CC BY-NC 21.40445 Price et al., RECETOX, Masaryk University (CZ) 1-Octadecanol_1TMS
+440.22937 CC BY-NC 20.63897 Price et al., RECETOX, Masaryk University (CZ) Dopamine_4TMS
+369.12262 CC BY-NC 18.03491 Price et al., RECETOX, Masaryk University (CZ) Dopamine_3TMS
+371.22736 CC BY-NC 26.906480000000002 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS
+342.20087 CC BY-NC 26.493049999999997 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS
+407.17627 CC BY-NC 21.961149999999996 Price et al., RECETOX, Masaryk University (CZ) 5-Hydroxyindole-3-acetic acid_3TMS
+519.20136 CC BY-NC 24.27129 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 1
+517.20398 CC BY-NC 24.78395 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 2
+326.26367 CC BY-NC 20.12293 Price et al., RECETOX, Masaryk University (CZ) Palmitoleic acid_1TMS
+246.13393 CC BY-NC 12.445070000000001 Price et al., RECETOX, Masaryk University (CZ) Norvaline_2TMS
+323.03726 CC BY-NC 14.699729999999999 Price et al., RECETOX, Masaryk University (CZ) Norvaline_3TMS
+261.11807 CC BY-NC 18.87648 Price et al., RECETOX, Masaryk University (CZ) Methyl-3-indolylacetate_1TMS
+486.42563 CC BY-NC 33.42255 Price et al., RECETOX, Masaryk University (CZ) beta-Sitosterol_1TMS
+294.134 CC BY-NC 16.22569 Price et al., RECETOX, Masaryk University (CZ) Phenylalanine_2TMS
+460.95105 CC BY-NC 19.07744 Price et al., RECETOX, Masaryk University (CZ) Homocitrulline_4TMS
+278.10501 CC BY-NC 14.973469999999999 Price et al., RECETOX, Masaryk University (CZ) Acetylserine_2TMS
+456.37824 CC BY-NC 32.20533 Price et al., RECETOX, Masaryk University (CZ) 7-Dehydrocholesterol_1TMS
+271.08026 CC BY-NC 15.06984 Price et al., RECETOX, Masaryk University (CZ) Salicylic acid_2TMS
+557.59625 CC BY-NC 26.84795 Price et al., RECETOX, Masaryk University (CZ) Cytidine_5TMS
+359.2977 CC BY-NC 22.35718 Price et al., RECETOX, Masaryk University (CZ) Stearic acid_1TMS
+279.13321 CC BY-NC 18.66714 Price et al., RECETOX, Masaryk University (CZ) Adenine_2TMS
+466.22934 CC BY-NC 18.845039999999997 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 1
+351.17252 CC BY-NC 19.25431 Price et al., RECETOX, Masaryk University (CZ) Adenine_3TMS
+480.24384 CC BY-NC 19.07299 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 2
+323.13168 CC BY-NC 17.99822 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_2TMS
+238.07059 CC BY-NC 18.42755 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_1TMS
+458.97305 CC BY-NC 17.83803 Price et al., RECETOX, Masaryk University (CZ) 2-Deoxyglucose_4TMS
+359.11441 CC BY-NC 17.34565 Price et al., RECETOX, Masaryk University (CZ) 2,3-Dihydroxybenzoic acid_3TMS
+468.37845 CC BY-NC 30.53203 Price et al., RECETOX, Masaryk University (CZ) Ergocalciferol_TMS
+270.25577 CC BY-NC 19.25397 Price et al., RECETOX, Masaryk University (CZ) Methyl palmitate
+259.07892 CC BY-NC 15.51845 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 2
+256.1189 CC BY-NC 14.328589999999998 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 1
+331.14514 CC BY-NC 15.26203 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_3TMS
+466.22998 CC BY-NC 18.90842 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 1
+448.21909 CC BY-NC 19.11034 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 2
+349.15625 CC BY-NC 15.103800000000001 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer
+502.42047 CC BY-NC 31.471149999999998 Price et al., RECETOX, Masaryk University (CZ) alpha-Tocopherol_1TMS
+502.332 CC BY-NC 22.50516 Price et al., RECETOX, Masaryk University (CZ) Spermidine_5TMS
+423.76837 CC BY-NC 21.991439999999997 Price et al., RECETOX, Masaryk University (CZ) Spermidine_4TMS
+255.11404 CC BY-NC 15.17806 Price et al., RECETOX, Masaryk University (CZ) Cytosine_2TMS
+327.16107 CC BY-NC 16.21093 Price et al., RECETOX, Masaryk University (CZ) Cytosine_3TMS
+462.2586 CC BY-NC 18.50448 Price et al., RECETOX, Masaryk University (CZ) Glycylvaline_4TMS
+280.11725 CC BY-NC 18.02407 Price et al., RECETOX, Masaryk University (CZ) Hypoxanthine_2TMS
+417.30649 CC BY-NC 28.51973 Price et al., RECETOX, Masaryk University (CZ) Pregnenolone_1TMS
+471.2048 CC BY-NC 20.88587 Price et al., RECETOX, Masaryk University (CZ) Levodopa_4TMS
+224.08672 CC BY-NC 14.578409999999998 Price et al., RECETOX, Masaryk University (CZ) 2-Methoxybenzoic acid_1TMS
+531.23712 CC BY-NC 26.733739999999997 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 1
+557.9187 CC BY-NC 27.175990000000002 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 2
+306.09992 CC BY-NC 16.441679999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_2TMS
+322.14883 CC BY-NC 13.81929 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 1
+326.96603 CC BY-NC 16.46616 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 2
+328.98157 CC BY-NC 16.21799 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 1
+517.22162 CC BY-NC 26.81155 Price et al., RECETOX, Masaryk University (CZ) Cytidine_4TMS
+456.37826 CC BY-NC 32.60078 Price et al., RECETOX, Masaryk University (CZ) Dehydrocholesterol_1TMS
+466.36206 CC BY-NC 32.89183 Price et al., RECETOX, Masaryk University (CZ) Dehydroergosterol_1TMS
+454.36246 CC BY-NC 32.42543 Price et al., RECETOX, Masaryk University (CZ) Cholestatrienol_1TMS
+258.09448 CC BY-NC 13.040640000000002 Price et al., RECETOX, Masaryk University (CZ) Proline_2TMS
diff --git a/tools/tables/test-data/interpolate/query_interpolate_rt.tabular b/tools/tables/test-data/interpolate/query_interpolate_rt.tabular
new file mode 100644
index 00000000..bc1b1d34
--- /dev/null
+++ b/tools/tables/test-data/interpolate/query_interpolate_rt.tabular
@@ -0,0 +1,266 @@
+precursor_mz license retention_index authors compound_name RT
+362.18381 CC BY-NC 2520.736 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 2 7.2481219634266925
+489.1889 CC BY-NC 2566.364 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_TMS derivative 7.337700496069004
+434.22321 CC BY-NC 2415.476 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_3TMS 6.949011804243075
+362.18381 CC BY-NC 2475.613 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 1 7.134617180165526
+136.05856 CC BY-NC 1443.328 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide 3.3565019233430204
+261.06659 CC BY-NC 1376.073 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_2TMS 3.1220231604529958
+201.11786 CC BY-NC 1292.953 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_1TMS 2.8806192451019776
+194.06293 CC BY-NC 1316.816 Price et al., RECETOX, Masaryk University (CZ) Nicotinic acid_1TMS 2.9467540450363083
+362.16293 CC BY-NC 1664.769 Price et al., RECETOX, Masaryk University (CZ) Ribose_4TMS 4.366125473784941
+342.13101 CC BY-NC 1892.004 Price et al., RECETOX, Masaryk University (CZ) Syringic acid_2TMS 5.267193046945155
+367.16711 CC BY-NC 2118.982 Price et al., RECETOX, Masaryk University (CZ) Guanine_3TMS 6.055099291874508
+439.20303 CC BY-NC 2175.041 Price et al., RECETOX, Masaryk University (CZ) Guanine_4TMS 6.22383436145032
+260.14963 CC BY-NC 1282.975 Price et al., RECETOX, Masaryk University (CZ) Leucine_2TMS 2.853317974726836
+458.17902 CC BY-NC 1951.021 Price et al., RECETOX, Masaryk University (CZ) Gallic acid_4TMS 5.511906403839568
+396.16028 CC BY-NC 2131.329 Price et al., RECETOX, Masaryk University (CZ) trans-Caffeic acid_3TMS 6.091646562259711
+396.1604 CC BY-NC 1975.29 Price et al., RECETOX, Masaryk University (CZ) cis-Caffeic acid_3TMS 5.60867209847706
+525.24902 CC BY-NC 2071.766 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 1 5.920178866623973
+579.297 CC BY-NC 2081.004 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 2 5.946197806870793
+326.1362 CC BY-NC 1761.149 Price et al., RECETOX, Masaryk University (CZ) 4-Hydroxy-3methoxyphenylacetic acid_2TMS 4.743092088606552
+278.12305 CC BY-NC 1317.247 Price et al., RECETOX, Masaryk University (CZ) Glycine_3TMS 2.9479640752130774
+270.12137 CC BY-NC 1402.643 Price et al., RECETOX, Masaryk University (CZ) Thymine_2TMS 3.2089452712858346
+348.1713 CC BY-NC 1658.764 Price et al., RECETOX, Masaryk University (CZ) Asparagine_3TMS 4.343192519565847
+368.1339 CC BY-NC 1499.852 Price et al., RECETOX, Masaryk University (CZ) Asparagine_2TMS 3.599296072071003
+420.21198 CC BY-NC 1598.743 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 1 4.094203337774629
+420.21072 CC BY-NC 1619.979 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 2 4.188056056713636
+320.15897 CC BY-NC 1782.981 Price et al., RECETOX, Masaryk University (CZ) Azelaic acid_2TMS 4.831474397390476
+319.14154 CC BY-NC 1960.418 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_2TMS 5.549998336897806
+245.10255 CC BY-NC 1919.926 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_1TMS 5.382843094675469
+355.1398 CC BY-NC 2119.143 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_2TMS 6.05557260906063
+426.17551 CC BY-NC 2085.942 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_3TMS 5.960108811368132
+518.24091 CC BY-NC 1900.622 Price et al., RECETOX, Masaryk University (CZ) Allantoin_5TMS 5.3025649872865355
+446.20102 CC BY-NC 1877.684 Price et al., RECETOX, Masaryk University (CZ) Allantoin_4TMS 5.209118259754561
+374.16168 CC BY-NC 2065.527 Price et al., RECETOX, Masaryk University (CZ) Allantoin_3TMS 5.90253865677221
+252.10365 CC BY-NC 1988.727 Price et al., RECETOX, Masaryk University (CZ) Theobromine_1TMS 5.65944936257908
+473.1601 CC BY-NC 2310.707 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 1 6.631581399081059
+472.16409 CC BY-NC 2332.412 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 2 6.6955556780884935
+434.21536 CC BY-NC 1936.412 Price et al., RECETOX, Masaryk University (CZ) Galactitol_6TMS 5.4516307464067655
+422.21552 CC BY-NC 1713.998 Price et al., RECETOX, Masaryk University (CZ) Ribitol_5TMS 4.55441174372676
+363.17084 CC BY-NC 1611.723 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 2 4.152543026755524
+273.12088 CC BY-NC 1519.766 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS 3.697004070497553
+285.13287 CC BY-NC 1528.459 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_2TMS 3.741090592975653
+460.40933 CC BY-NC 3195.161 Price et al., RECETOX, Masaryk University (CZ) Cholestanol_1TMS 8.781910602792141
+249.07844 CC BY-NC 1318.455 Price et al., RECETOX, Masaryk University (CZ) Succinic acid_1TMS 2.951359117614298
+598.29169 CC BY-NC 2734.555 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 1 7.6623204786127275
+624.3072 CC BY-NC 2762.246 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 2 7.714275198141205
+292.13931 CC BY-NC 1366.752 Price et al., RECETOX, Masaryk University (CZ) Alanine_3TMS 3.0929678312285684
+227.02199 CC BY-NC 1133.662 Price et al., RECETOX, Masaryk University (CZ) Alanine_2TMS 2.4134751414060034
+232.07872 CC BY-NC 1772.129 Price et al., RECETOX, Masaryk University (CZ) Indole-2-carboxylic acid_1TMS 4.7875615536883
+273.11054 CC BY-NC 1223.943 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_2TMS 2.6911733058721605
+415.03641 CC BY-NC 1722.841 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_4TMS 4.58927521444164
+300.2475 CC BY-NC 1839.995 Price et al., RECETOX, Masaryk University (CZ) Myristic acid_1TMS 5.058912058161569
+306.13684 CC BY-NC 1512.481 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer 3.6606349223994292
+333.15714 CC BY-NC 2080.405 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid 5.944511539027266
+261.11783 CC BY-NC 2031.59 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid_1TMS 5.803156515758376
+305.12579 CC BY-NC 2023.71 Price et al., RECETOX, Masaryk University (CZ) Indole-3-carboxylic acid_2TMS 5.778671783789439
+451.18115 CC BY-NC 1874.721 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,5-lactone 5.197193853780369
+466.20514 CC BY-NC 1888.373 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,4-lactone 5.252390894554229
+614.27368 CC BY-NC 1994.983 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid_6TMS 5.682207106790647
+377.16287 CC BY-NC 1917.593 Price et al., RECETOX, Masaryk University (CZ) Gluconolactone 5.373097819785549
+208.0979 CC BY-NC 1456.937 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide_1TMS 3.410532868746583
+466.22858 CC BY-NC 1877.592 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 1 5.208747586122066
+448.21866 CC BY-NC 1895.569 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 2 5.281782733831239
+376.19946 CC BY-NC 2384.715 Price et al., RECETOX, Masaryk University (CZ) Melatonin_2TMS 6.852519501017385
+304.15997 CC BY-NC 2445.713 Price et al., RECETOX, Masaryk University (CZ) Melatonin_1TMS 7.04483944019245
+543.21246 CC BY-NC 2564.368 Price et al., RECETOX, Masaryk University (CZ) Inosine_4TMS 7.33402757592327
+242.02328 CC BY-NC 1433.812 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_1TMS 3.320201434849411
+304.15579 CC BY-NC 1421.252 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_2TMS 3.2740267968123633
+268.11243 CC BY-NC 1708.024 Price et al., RECETOX, Masaryk University (CZ) Homoveratric_acid_1TMS 4.53106368618474
+434.2149 CC BY-NC 1925.111 Price et al., RECETOX, Masaryk University (CZ) Mannitol_6TMS 5.404508415472799
+222.14323 CC BY-NC 1321.728 Price et al., RECETOX, Masaryk University (CZ) Thymol_1TMS 2.96058528430428
+406.18625 CC BY-NC 2212.521 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_3TMS 6.33806719094516
+331.14139 CC BY-NC 2153.768 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_2TMS 6.159109991782635
+378.10901 CC BY-NC 1733.549 Price et al., RECETOX, Masaryk University (CZ) trans-Aconitic acid_3TMS 4.631897839622167
+468.37778 CC BY-NC 3264.982 Price et al., RECETOX, Masaryk University (CZ) Ergosterol_1TMS 9.065607996257825
+277.10928 CC BY-NC 1421.292 Price et al., RECETOX, Masaryk University (CZ) 3-Methylglutaric acid_2TMS 3.2741708533160097
+396.19299 CC BY-NC 1707.47 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS 4.528907652076575
+413.3653 CC BY-NC 3300.418 Price et al., RECETOX, Masaryk University (CZ) Cholestenone 9.20146046060709
+434.21451 CC BY-NC 1932.941 Price et al., RECETOX, Masaryk University (CZ) Sorbitol_6TMS 5.437185139233706
+269.13876 CC BY-NC 1299.49 Price et al., RECETOX, Masaryk University (CZ) Isoleucine_2TMS 2.8985939273551
+464.2132 CC BY-NC 1861.884 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 1 5.145817595857719
+555.26501 CC BY-NC 1871.707 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 2 5.185091845779339
+249.05966 CC BY-NC 1350.603 Price et al., RECETOX, Masaryk University (CZ) Fumaric acid_2TMS 3.044120353339771
+468.15952 CC BY-NC 1801.269 Price et al., RECETOX, Masaryk University (CZ) Isocitric acid_4TMS 4.90508309309253
+204.09969 CC BY-NC 1246.784 Price et al., RECETOX, Masaryk University (CZ) Urea_2TMS 2.754529495614425
+276.15033 CC BY-NC 1199.655 Price et al., RECETOX, Masaryk University (CZ) Urea_3TMS 2.62171901254956
+643.29096 CC BY-NC 2761.007 Price et al., RECETOX, Masaryk University (CZ) Guanosine_5TMS 7.7118151282201906
+371.18732 CC BY-NC 1914.512 Price et al., RECETOX, Masaryk University (CZ) Histidine_3TMS 5.360237577828186
+443.22736 CC BY-NC 2146.867 Price et al., RECETOX, Masaryk University (CZ) Histidine_4TMS 6.138245931071317
+421.19458 CC BY-NC 1640.562 Price et al., RECETOX, Masaryk University (CZ) Xylose_4TMS 4.272305024440942
+190.07045 CC BY-NC 1269.712 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_1TMS 2.8171629114733294
+392.20975 CC BY-NC 1940.186 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_3TMS 5.467294206126632
+384.16013 CC BY-NC 1815.935 Price et al., RECETOX, Masaryk University (CZ) 3,4-Dihydroxybenzeneacetic acid_3TMS 4.963561365764031
+476.27365 CC BY-NC 1870.232 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_4TMS 5.179178851752336
+318.15744 CC BY-NC 2098.84 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_2TMS 5.996682458626514
+389.18936 CC BY-NC 2048.997 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_3TMS 5.855095226508968
+520.3761 CC BY-NC 3290.675 Price et al., RECETOX, Masaryk University (CZ) Lithocholic acid_2TMS 9.166370101937632
+464.2132 CC BY-NC 1868.664 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 1 5.172899525485256
+402.17654 CC BY-NC 1895.068 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 2 5.279728882591327
+390.23691 CC BY-NC 2274.265 Price et al., RECETOX, Masaryk University (CZ) Tetradecanedioic acid_2TMS 6.523680321414422
+596.39124 CC BY-NC 3706.675 Price et al., RECETOX, Masaryk University (CZ) Deoxycholic acid_3TMS 11.04837323084504
+396.19266 CC BY-NC 1706.712 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS 4.52596032049395
+459.14395 CC BY-NC 1820.179 Price et al., RECETOX, Masaryk University (CZ) Phosphoserine_4TMS 4.9804126669930415
+337.11273 CC BY-NC 1479.336 Price et al., RECETOX, Masaryk University (CZ) Malic acid_3TMS 3.505360516582923
+256.10553 CC BY-NC 1340.716 Price et al., RECETOX, Masaryk University (CZ) Uracil_2TMS 3.015030718390016
+555.25403 CC BY-NC 2626.723 Price et al., RECETOX, Masaryk University (CZ) Adenosine_4TMS 7.452865627363756
+627.2951 CC BY-NC 2694.825 Price et al., RECETOX, Masaryk University (CZ) Adenosine_5TMS 7.59024337724521
+324.98636 CC BY-NC 1925.08 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_2TMS 5.4043788999043025
+476.2366 CC BY-NC 1850.038 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_4TMS 5.09871430408975
+308.15137 CC BY-NC 1526.173 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_3TMS 3.729437498688706
+401.98407 CC BY-NC 1744.992 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_3TMS 4.677824911544123
+247.11795 CC BY-NC 1267.765 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_2TMS 2.81185868120309
+219.10622 CC BY-NC 1160.418 Price et al., RECETOX, Masaryk University (CZ) Sarcosine_2TMS 2.502205019183438
+262.10492 CC BY-NC 1226.577 Price et al., RECETOX, Masaryk University (CZ) 2-Methylmalonic acid_2TMS 2.698557942365996
+273.12122 CC BY-NC 1518.258 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS 3.6894267466627975
+391.166 CC BY-NC 1654.213 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_3TMS 4.325691812942683
+330.10126 CC BY-NC 1662.921 Price et al., RECETOX, Masaryk University (CZ) Taurine_3TMS 4.359084290952733
+508.25763 CC BY-NC 2081.314 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_4TMS 5.947070553499146
+467.15692 CC BY-NC 1800.533 Price et al., RECETOX, Masaryk University (CZ) Citric acid_4TMS 4.902135506831701
+581.29388 CC BY-NC 2068.947 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 1 5.912219445317769
+372.12848 CC BY-NC 1730.0 Price et al., RECETOX, Masaryk University (CZ) Orotic acid_3TMS 4.617727772009841
+434.20194 CC BY-NC 2091.044 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 2 5.974520248099473
+373.20316 CC BY-NC 1808.72 Price et al., RECETOX, Masaryk University (CZ) Arginine_3TMS 4.934848243267241
+539.2533 CC BY-NC 3541.85 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 1 10.100695082432104
+648.42804 CC BY-NC 3577.725 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 2 10.282996528000915
+410.17297 CC BY-NC 1548.223 Price et al., RECETOX, Masaryk University (CZ) Threonic acid_4TMS 3.842815723157722
+325.00406 CC BY-NC 1383.911 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 2 3.1470012548124995
+334.17438 CC BY-NC 1884.285 Price et al., RECETOX, Masaryk University (CZ) Sebacid acid_2TMS 5.235790730445155
+312.11047 CC BY-NC 1599.903 Price et al., RECETOX, Masaryk University (CZ) Hypotaurine_3TMS 4.09955385055339
+333.12225 CC BY-NC 2064.473 Price et al., RECETOX, Masaryk University (CZ) Kynurenic acid_2TMS 5.899548499050379
+390.21848 CC BY-NC 1751.486 Price et al., RECETOX, Masaryk University (CZ) Theanine_3TMS 4.704014906875879
+318.1786 CC BY-NC 1767.969 Price et al., RECETOX, Masaryk University (CZ) Theanine_2TMS 4.7707118148921275
+311.11298 CC BY-NC 1691.138 Price et al., RECETOX, Masaryk University (CZ) 4-Methoxymandelic acid_2TMS 4.466095106465019
+404.23398 CC BY-NC 2099.177 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_3TMS 5.997645646841121
+476.27362 CC BY-NC 2062.792 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_4TMS 5.894772033149257
+298.28644 CC BY-NC 2123.088 Price et al., RECETOX, Masaryk University (CZ) Methyl stearate 6.067198360535161
+334.18509 CC BY-NC 1718.079 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_3TMS 4.5704590010394615
+275.17328 CC BY-NC 1489.369 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_2TMS 3.5504084399804774
+305.14038 CC BY-NC 1686.939 Price et al., RECETOX, Masaryk University (CZ) Suberic acid_2TMS 4.450138621127062
+234.10721 CC BY-NC 1564.514 Price et al., RECETOX, Masaryk University (CZ) alpha-Methylcinammic acid_1TMS 3.9265310547367207
+250.96794 CC BY-NC 1308.31 Price et al., RECETOX, Masaryk University (CZ) Maleic acid_2TMS 2.9230013587187655
+334.14865 CC BY-NC 1513.131 Price et al., RECETOX, Masaryk University (CZ) Hydroxyproline_3TMS 3.663854314458941
+498.91568 CC BY-NC 2272.319 Price et al., RECETOX, Masaryk University (CZ) Cystine_4TMS 6.517884130124581
+260.14963 CC BY-NC 1316.851 Price et al., RECETOX, Masaryk University (CZ) Norleucine_2TMS 2.946852282510461
+329.17691 CC BY-NC 1545.214 Price et al., RECETOX, Masaryk University (CZ) Creatinine_3TMS 3.82727729621824
+338.13629 CC BY-NC 2077.594 Price et al., RECETOX, Masaryk University (CZ) Ferulic acid_2TMS 5.936598707420277
+263.09412 CC BY-NC 1396.082 Price et al., RECETOX, Masaryk University (CZ) Glutaric acid_2TMS 3.1868675808627214
+293.12958 CC BY-NC 1508.447 Price et al., RECETOX, Masaryk University (CZ) Methionine_2TMS 3.6407809204025168
+340.14175 CC BY-NC 2274.972 Price et al., RECETOX, Masaryk University (CZ) Cysteine_4TMS 6.52578525887413
+335.18893 CC BY-NC 1542.761 Price et al., RECETOX, Masaryk University (CZ) Cysteine_3TMS 3.8146112929910445
+305.15805 CC BY-NC 1420.506 Price et al., RECETOX, Masaryk University (CZ) beta-Alanine_3TMS 3.271343550935199
+263.10043 CC BY-NC 1674.306 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_1TMS 4.402308260166768
+335.06458 CC BY-NC 1653.322 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_2TMS 4.322250856539917
+434.26306 CC BY-NC 1908.314 Price et al., RECETOX, Masaryk University (CZ) Lysine_4TMS 5.334424681030788
+362.22369 CC BY-NC 1687.725 Price et al., RECETOX, Masaryk University (CZ) Lysine_3TMS 4.4531216462470935
+381.16385 CC BY-NC 1764.405 Price et al., RECETOX, Masaryk University (CZ) Methionine sulfoxide_3TMS 4.756276349442844
+261.10855 CC BY-NC 1226.034 Price et al., RECETOX, Masaryk University (CZ) Valine_2TMS 2.697037574346855
+390.15857 CC BY-NC 1883.896 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 1 5.234214520309086
+388.14252 CC BY-NC 1922.836 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 2 5.395002553931298
+451.21841 CC BY-NC 2614.971 Price et al., RECETOX, Masaryk University (CZ) Sucrose_8TMS 7.4292339824081415
+267.11365 CC BY-NC 1337.622 Price et al., RECETOX, Masaryk University (CZ) Itaconic acid_2TMS 3.006039852469469
+462.20978 CC BY-NC 1782.877 Price et al., RECETOX, Masaryk University (CZ) Shikimic acid_4TMS 4.831054089602621
+469.23215 CC BY-NC 1948.663 Price et al., RECETOX, Masaryk University (CZ) Epinepherine_4TMS 5.502251772451443
+305.16257 CC BY-NC 1883.718 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_2TMS 5.233493463683389
+232.11545 CC BY-NC 1821.623 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_1TMS 4.986141142621307
+383.16971 CC BY-NC 1925.553 Price et al., RECETOX, Masaryk University (CZ) Tyrosine_3TMS 5.406354990924065
+419.12936 CC BY-NC 2058.391 Price et al., RECETOX, Masaryk University (CZ) 3-Chlorotyrosine_3TMS 5.882215986133186
+229.11282 CC BY-NC 1522.196 Price et al., RECETOX, Masaryk University (CZ) Acetylproline_1TMS 3.7092619254740935
+312.1207 CC BY-NC 1746.645 Price et al., RECETOX, Masaryk University (CZ) Vanillic acid_2TMS 4.684484237650644
+335.17609 CC BY-NC 1438.379 Price et al., RECETOX, Masaryk University (CZ) Homoserine_3TMS 3.3374764380716306
+404.14093 CC BY-NC 1658.598 Price et al., RECETOX, Masaryk University (CZ) Homoserine_4TMS 4.3425561998367534
+384.16022 CC BY-NC 1813.416 Price et al., RECETOX, Masaryk University (CZ) Homogentisic acid_3TMS 4.953546998605186
+418.99484 CC BY-NC 2505.27 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_4TMS 7.2128675299936
+351.15323 CC BY-NC 1645.979 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_3TMS 4.2936756879718185
+464.18985 CC BY-NC 1932.408 Price et al., RECETOX, Masaryk University (CZ) Ascorbic acid_4TMS 5.4349641509970885
+498.86856 CC BY-NC 2728.015 Price et al., RECETOX, Masaryk University (CZ) Spermine_6TMS 7.650616132209053
+578.1349 CC BY-NC 2238.332 Price et al., RECETOX, Masaryk University (CZ) Spermine_derivative 6.416086991175791
+484.40952 CC BY-NC 3280.406 Price et al., RECETOX, Masaryk University (CZ) Stigmasterol_1TMS 9.127300979329974
+194.07974 CC BY-NC 1843.997 Price et al., RECETOX, Masaryk University (CZ) Caffeine 5.074763825852821
+509.22403 CC BY-NC 2077.476 Price et al., RECETOX, Masaryk University (CZ) Myo-inositol_6TMS 5.936266517174917
+176.09434 CC BY-NC 1704.209 Price et al., RECETOX, Masaryk University (CZ) Cotinine 4.516249867392151
+372.27695 CC BY-NC 2940.707 Price et al., RECETOX, Masaryk University (CZ) Progesterone 8.193381001279805
+266.10165 CC BY-NC 1791.219 Price et al., RECETOX, Masaryk University (CZ) Acetylphenylalanine_1TMS 4.864716107365632
+351.16812 CC BY-NC 1773.636 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_2TMS 4.793664466849357
+456.18604 CC BY-NC 2079.217 Price et al., RECETOX, Masaryk University (CZ) Uric acid_4TMS 5.941167396601378
+261.0784 CC BY-NC 1344.988 Price et al., RECETOX, Masaryk University (CZ) Citraconic acid_2TMS 3.0275304754301344
+314.08749 CC BY-NC 1708.782 Price et al., RECETOX, Masaryk University (CZ) Quinolinic aicd_2TMS 4.534016230539935
+405.18152 CC BY-NC 1736.717 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_3TMS 4.644578835758108
+320.11572 CC BY-NC 1759.747 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_2TMS 4.7374169426080925
+464.252 CC BY-NC 2446.155 Price et al., RECETOX, Masaryk University (CZ) Serotonin_4TMS 7.046217562622479
+390.19714 CC BY-NC 2474.028 Price et al., RECETOX, Masaryk University (CZ) Serotonin_3TMS 7.1300804106966496
+368.15134 CC BY-NC 1998.854 Price et al., RECETOX, Masaryk University (CZ) Xanthine_3TMS 5.6959732671312855
+308.13397 CC BY-NC 1353.518 Price et al., RECETOX, Masaryk University (CZ) Serine_3TMS 3.052808911759839
+380.17392 CC BY-NC 1559.921 Price et al., RECETOX, Masaryk University (CZ) Serine_4TMS 3.9030499284566726
+462.21869 CC BY-NC 2362.292 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_3TMS 6.784419048717914
+390.17914 CC BY-NC 2417.979 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 1 6.956987469937696
+503.2298 CC BY-NC 2479.712 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_derivative 7.146204833823661
+386.14746 CC BY-NC 2531.8 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 2 7.2714184152340025
+304.17181 CC BY-NC 1950.659 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_2TMS 5.5104264689439635
+475.0034 CC BY-NC 2137.466 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_derivative 6.1099807517921
+359.02829 CC BY-NC 2197.85 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS 6.293449147638638
+374.20206 CC BY-NC 2210.789 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS 6.332809970388428
+416.25623 CC BY-NC 2684.039 Price et al., RECETOX, Masaryk University (CZ) Estradiol_2TMS 7.5693801047163465
+414.24042 CC BY-NC 2717.327 Price et al., RECETOX, Masaryk University (CZ) Dehydroestradiol_2TMS 7.63155219017735
+426.20065 CC BY-NC 2174.229 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_3TMS 6.22135662682439
+484.6163 CC BY-NC 2127.988 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_4TMS 6.081709833059625
+363.17108 CC BY-NC 1603.813 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 1 4.117384423223167
+328.2792 CC BY-NC 2031.754 Price et al., RECETOX, Masaryk University (CZ) Palmitic acid_1TMS 5.803658824499167
+350.14514 CC BY-NC 2149.28 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_2TMS 6.1455313074683815
+341.01743 CC BY-NC 2140.445 Price et al., RECETOX, Masaryk University (CZ) 1-Octadecanol_1TMS 6.118915496630736
+440.22937 CC BY-NC 2063.897 Price et al., RECETOX, Masaryk University (CZ) Dopamine_4TMS 5.897912908699606
+369.12262 CC BY-NC 1803.491 Price et al., RECETOX, Masaryk University (CZ) Dopamine_3TMS 4.913973377151854
+371.22736 CC BY-NC 2690.648 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS 7.582242802462567
+342.20087 CC BY-NC 2649.305 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS 7.499117036476692
+407.17627 CC BY-NC 2196.115 Price et al., RECETOX, Masaryk University (CZ) 5-Hydroxyindole-3-acetic acid_3TMS 6.288160067297115
+519.20136 CC BY-NC 2427.129 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 1 6.986151101623792
+517.20398 CC BY-NC 2478.395 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 2 7.142505140598561
+326.26367 CC BY-NC 2012.293 Price et al., RECETOX, Masaryk University (CZ) Palmitoleic acid_1TMS 5.741825362676127
+246.13393 CC BY-NC 1244.507 Price et al., RECETOX, Masaryk University (CZ) Norvaline_2TMS 2.748271788709345
+323.03726 CC BY-NC 1469.973 Price et al., RECETOX, Masaryk University (CZ) Norvaline_3TMS 3.4647871443618192
+261.11807 CC BY-NC 1887.648 Price et al., RECETOX, Masaryk University (CZ) Methyl-3-indolylacetate_1TMS 5.24944199854047
+486.42563 CC BY-NC 3342.255 Price et al., RECETOX, Masaryk University (CZ) beta-Sitosterol_1TMS 9.331518986178617
+294.134 CC BY-NC 1622.569 Price et al., RECETOX, Masaryk University (CZ) Phenylalanine_2TMS 4.1989713540268445
+460.95105 CC BY-NC 1907.744 Price et al., RECETOX, Masaryk University (CZ) Homocitrulline_4TMS 5.332056095687915
+278.10501 CC BY-NC 1497.347 Price et al., RECETOX, Masaryk University (CZ) Acetylserine_2TMS 3.587440282705358
+456.37824 CC BY-NC 3220.533 Price et al., RECETOX, Masaryk University (CZ) 7-Dehydrocholesterol_1TMS 8.880998415465985
+271.08026 CC BY-NC 1506.984 Price et al., RECETOX, Masaryk University (CZ) Salicylic acid_2TMS 3.6336373506635673
+557.59625 CC BY-NC 2684.795 Price et al., RECETOX, Masaryk University (CZ) Cytidine_5TMS 7.570863137424369
+359.2977 CC BY-NC 2235.718 Price et al., RECETOX, Masaryk University (CZ) Stearic acid_1TMS 6.408213400845792
+279.13321 CC BY-NC 1866.714 Price et al., RECETOX, Masaryk University (CZ) Adenine_2TMS 5.165099297439333
+466.22934 CC BY-NC 1884.504 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 1 5.236678361994542
+351.17252 CC BY-NC 1925.431 Price et al., RECETOX, Masaryk University (CZ) Adenine_3TMS 5.405845315491951
+480.24384 CC BY-NC 1907.299 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 2 5.330207679514004
+323.13168 CC BY-NC 1799.822 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_2TMS 4.899286656426797
+238.07059 CC BY-NC 1842.755 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_1TMS 5.0698433745607865
+458.97305 CC BY-NC 1783.803 Price et al., RECETOX, Masaryk University (CZ) 2-Deoxyglucose_4TMS 4.834795956239019
+359.11441 CC BY-NC 1734.565 Price et al., RECETOX, Masaryk University (CZ) 2,3-Dihydroxybenzoic acid_3TMS 4.63596156580473
+468.37845 CC BY-NC 3053.203 Price et al., RECETOX, Masaryk University (CZ) Ergocalciferol_TMS 8.398530080914414
+270.25577 CC BY-NC 1925.397 Price et al., RECETOX, Masaryk University (CZ) Methyl palmitate 5.4057032730000225
+259.07892 CC BY-NC 1551.845 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 2 3.8615078611949776
+256.1189 CC BY-NC 1432.859 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 1 3.316630064434183
+331.14514 CC BY-NC 1526.203 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_3TMS 3.7295901788399397
+466.22998 CC BY-NC 1890.842 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 1 5.262449878940552
+448.21909 CC BY-NC 1911.034 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 2 5.345740866040592
+349.15625 CC BY-NC 1510.38 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer 3.6502666916040383
+502.42047 CC BY-NC 3147.115 Price et al., RECETOX, Masaryk University (CZ) alpha-Tocopherol_1TMS 8.623829764397167
+502.332 CC BY-NC 2250.516 Price et al., RECETOX, Masaryk University (CZ) Spermidine_5TMS 6.452703139283529
+423.76837 CC BY-NC 2199.144 Price et al., RECETOX, Masaryk University (CZ) Spermidine_4TMS 6.297392320220081
+255.11404 CC BY-NC 1517.806 Price et al., RECETOX, Masaryk University (CZ) Cytosine_2TMS 3.6871602269074017
+327.16107 CC BY-NC 1621.093 Price et al., RECETOX, Masaryk University (CZ) Cytosine_3TMS 4.192763411699628
+462.2586 CC BY-NC 1850.448 Price et al., RECETOX, Masaryk University (CZ) Glycylvaline_4TMS 5.1003411431856245
+280.11725 CC BY-NC 1802.407 Price et al., RECETOX, Masaryk University (CZ) Hypoxanthine_2TMS 4.909637836313574
+417.30649 CC BY-NC 2851.973 Price et al., RECETOX, Masaryk University (CZ) Pregnenolone_1TMS 7.95575589617099
+471.2048 CC BY-NC 2088.587 Price et al., RECETOX, Masaryk University (CZ) Levodopa_4TMS 5.967573368115994
+224.08672 CC BY-NC 1457.841 Price et al., RECETOX, Masaryk University (CZ) 2-Methoxybenzoic acid_1TMS 3.414214276291812
+531.23712 CC BY-NC 2673.374 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 1 7.548183869472435
+557.9187 CC BY-NC 2717.599 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 2 7.632038700986074
+306.09992 CC BY-NC 1644.168 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_2TMS 4.286561210670023
+322.14883 CC BY-NC 1381.929 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 1 3.140635678354363
+326.96603 CC BY-NC 1646.616 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 2 4.296171360077359
+328.98157 CC BY-NC 1621.799 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 1 4.19573688603876
+517.22162 CC BY-NC 2681.155 Price et al., RECETOX, Masaryk University (CZ) Cytidine_4TMS 7.563697113127376
+456.37826 CC BY-NC 3260.078 Price et al., RECETOX, Masaryk University (CZ) Dehydrocholesterol_1TMS 9.045454406887803
+466.36206 CC BY-NC 3289.183 Price et al., RECETOX, Masaryk University (CZ) Dehydroergosterol_1TMS 9.160815942950672
+454.36246 CC BY-NC 3242.543 Price et al., RECETOX, Masaryk University (CZ) Cholestatrienol_1TMS 8.972336003301246
+258.09448 CC BY-NC 1304.064 Price et al., RECETOX, Masaryk University (CZ) Proline_2TMS 2.911226441931007
diff --git a/tools/tables/test-data/query.tabular b/tools/tables/test-data/query.tabular
new file mode 100644
index 00000000..aeddc4a8
--- /dev/null
+++ b/tools/tables/test-data/query.tabular
@@ -0,0 +1,266 @@
+precursor_mz license retention_index authors compound_name
+362.18381 CC BY-NC 2520.736 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 2
+489.1889 CC BY-NC 2566.364 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_TMS derivative
+434.22321 CC BY-NC 2415.476 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_3TMS
+362.18381 CC BY-NC 2475.613 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 1
+136.05856 CC BY-NC 1443.328 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide
+261.06659 CC BY-NC 1376.073 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_2TMS
+201.11786 CC BY-NC 1292.953 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_1TMS
+194.06293 CC BY-NC 1316.816 Price et al., RECETOX, Masaryk University (CZ) Nicotinic acid_1TMS
+362.16293 CC BY-NC 1664.769 Price et al., RECETOX, Masaryk University (CZ) Ribose_4TMS
+342.13101 CC BY-NC 1892.004 Price et al., RECETOX, Masaryk University (CZ) Syringic acid_2TMS
+367.16711 CC BY-NC 2118.982 Price et al., RECETOX, Masaryk University (CZ) Guanine_3TMS
+439.20303 CC BY-NC 2175.041 Price et al., RECETOX, Masaryk University (CZ) Guanine_4TMS
+260.14963 CC BY-NC 1282.975 Price et al., RECETOX, Masaryk University (CZ) Leucine_2TMS
+458.17902 CC BY-NC 1951.021 Price et al., RECETOX, Masaryk University (CZ) Gallic acid_4TMS
+396.16028 CC BY-NC 2131.329 Price et al., RECETOX, Masaryk University (CZ) trans-Caffeic acid_3TMS
+396.1604 CC BY-NC 1975.29 Price et al., RECETOX, Masaryk University (CZ) cis-Caffeic acid_3TMS
+525.24902 CC BY-NC 2071.766 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 1
+579.297 CC BY-NC 2081.004 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 2
+326.1362 CC BY-NC 1761.149 Price et al., RECETOX, Masaryk University (CZ) 4-Hydroxy-3methoxyphenylacetic acid_2TMS
+278.12305 CC BY-NC 1317.247 Price et al., RECETOX, Masaryk University (CZ) Glycine_3TMS
+270.12137 CC BY-NC 1402.643 Price et al., RECETOX, Masaryk University (CZ) Thymine_2TMS
+348.1713 CC BY-NC 1658.764 Price et al., RECETOX, Masaryk University (CZ) Asparagine_3TMS
+368.1339 CC BY-NC 1499.852 Price et al., RECETOX, Masaryk University (CZ) Asparagine_2TMS
+420.21198 CC BY-NC 1598.743 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 1
+420.21072 CC BY-NC 1619.979 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 2
+320.15897 CC BY-NC 1782.981 Price et al., RECETOX, Masaryk University (CZ) Azelaic acid_2TMS
+319.14154 CC BY-NC 1960.418 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_2TMS
+245.10255 CC BY-NC 1919.926 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_1TMS
+355.1398 CC BY-NC 2119.143 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_2TMS
+426.17551 CC BY-NC 2085.942 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_3TMS
+518.24091 CC BY-NC 1900.622 Price et al., RECETOX, Masaryk University (CZ) Allantoin_5TMS
+446.20102 CC BY-NC 1877.684 Price et al., RECETOX, Masaryk University (CZ) Allantoin_4TMS
+374.16168 CC BY-NC 2065.527 Price et al., RECETOX, Masaryk University (CZ) Allantoin_3TMS
+252.10365 CC BY-NC 1988.727 Price et al., RECETOX, Masaryk University (CZ) Theobromine_1TMS
+473.1601 CC BY-NC 2310.707 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 1
+472.16409 CC BY-NC 2332.412 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 2
+434.21536 CC BY-NC 1936.412 Price et al., RECETOX, Masaryk University (CZ) Galactitol_6TMS
+422.21552 CC BY-NC 1713.998 Price et al., RECETOX, Masaryk University (CZ) Ribitol_5TMS
+363.17084 CC BY-NC 1611.723 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 2
+273.12088 CC BY-NC 1519.766 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS
+285.13287 CC BY-NC 1528.459 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_2TMS
+460.40933 CC BY-NC 3195.161 Price et al., RECETOX, Masaryk University (CZ) Cholestanol_1TMS
+249.07844 CC BY-NC 1318.455 Price et al., RECETOX, Masaryk University (CZ) Succinic acid_1TMS
+598.29169 CC BY-NC 2734.555 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 1
+624.3072 CC BY-NC 2762.246 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 2
+292.13931 CC BY-NC 1366.752 Price et al., RECETOX, Masaryk University (CZ) Alanine_3TMS
+227.02199 CC BY-NC 1133.662 Price et al., RECETOX, Masaryk University (CZ) Alanine_2TMS
+232.07872 CC BY-NC 1772.129 Price et al., RECETOX, Masaryk University (CZ) Indole-2-carboxylic acid_1TMS
+273.11054 CC BY-NC 1223.943 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_2TMS
+415.03641 CC BY-NC 1722.841 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_4TMS
+300.2475 CC BY-NC 1839.995 Price et al., RECETOX, Masaryk University (CZ) Myristic acid_1TMS
+306.13684 CC BY-NC 1512.481 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer
+333.15714 CC BY-NC 2080.405 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid
+261.11783 CC BY-NC 2031.59 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid_1TMS
+305.12579 CC BY-NC 2023.71 Price et al., RECETOX, Masaryk University (CZ) Indole-3-carboxylic acid_2TMS
+451.18115 CC BY-NC 1874.721 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,5-lactone
+466.20514 CC BY-NC 1888.373 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,4-lactone
+614.27368 CC BY-NC 1994.983 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid_6TMS
+377.16287 CC BY-NC 1917.593 Price et al., RECETOX, Masaryk University (CZ) Gluconolactone
+208.0979 CC BY-NC 1456.937 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide_1TMS
+466.22858 CC BY-NC 1877.592 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 1
+448.21866 CC BY-NC 1895.569 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 2
+376.19946 CC BY-NC 2384.715 Price et al., RECETOX, Masaryk University (CZ) Melatonin_2TMS
+304.15997 CC BY-NC 2445.713 Price et al., RECETOX, Masaryk University (CZ) Melatonin_1TMS
+543.21246 CC BY-NC 2564.368 Price et al., RECETOX, Masaryk University (CZ) Inosine_4TMS
+242.02328 CC BY-NC 1433.812 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_1TMS
+304.15579 CC BY-NC 1421.252 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_2TMS
+268.11243 CC BY-NC 1708.024 Price et al., RECETOX, Masaryk University (CZ) Homoveratric_acid_1TMS
+434.2149 CC BY-NC 1925.111 Price et al., RECETOX, Masaryk University (CZ) Mannitol_6TMS
+222.14323 CC BY-NC 1321.728 Price et al., RECETOX, Masaryk University (CZ) Thymol_1TMS
+406.18625 CC BY-NC 2212.521 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_3TMS
+331.14139 CC BY-NC 2153.768 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_2TMS
+378.10901 CC BY-NC 1733.549 Price et al., RECETOX, Masaryk University (CZ) trans-Aconitic acid_3TMS
+468.37778 CC BY-NC 3264.982 Price et al., RECETOX, Masaryk University (CZ) Ergosterol_1TMS
+277.10928 CC BY-NC 1421.292 Price et al., RECETOX, Masaryk University (CZ) 3-Methylglutaric acid_2TMS
+396.19299 CC BY-NC 1707.47 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS
+413.3653 CC BY-NC 3300.418 Price et al., RECETOX, Masaryk University (CZ) Cholestenone
+434.21451 CC BY-NC 1932.941 Price et al., RECETOX, Masaryk University (CZ) Sorbitol_6TMS
+269.13876 CC BY-NC 1299.49 Price et al., RECETOX, Masaryk University (CZ) Isoleucine_2TMS
+464.2132 CC BY-NC 1861.884 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 1
+555.26501 CC BY-NC 1871.707 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 2
+249.05966 CC BY-NC 1350.603 Price et al., RECETOX, Masaryk University (CZ) Fumaric acid_2TMS
+468.15952 CC BY-NC 1801.269 Price et al., RECETOX, Masaryk University (CZ) Isocitric acid_4TMS
+204.09969 CC BY-NC 1246.784 Price et al., RECETOX, Masaryk University (CZ) Urea_2TMS
+276.15033 CC BY-NC 1199.655 Price et al., RECETOX, Masaryk University (CZ) Urea_3TMS
+643.29096 CC BY-NC 2761.007 Price et al., RECETOX, Masaryk University (CZ) Guanosine_5TMS
+371.18732 CC BY-NC 1914.512 Price et al., RECETOX, Masaryk University (CZ) Histidine_3TMS
+443.22736 CC BY-NC 2146.867 Price et al., RECETOX, Masaryk University (CZ) Histidine_4TMS
+421.19458 CC BY-NC 1640.562 Price et al., RECETOX, Masaryk University (CZ) Xylose_4TMS
+190.07045 CC BY-NC 1269.712 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_1TMS
+392.20975 CC BY-NC 1940.186 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_3TMS
+384.16013 CC BY-NC 1815.935 Price et al., RECETOX, Masaryk University (CZ) 3,4-Dihydroxybenzeneacetic acid_3TMS
+476.27365 CC BY-NC 1870.232 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_4TMS
+318.15744 CC BY-NC 2098.84 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_2TMS
+389.18936 CC BY-NC 2048.997 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_3TMS
+520.3761 CC BY-NC 3290.675 Price et al., RECETOX, Masaryk University (CZ) Lithocholic acid_2TMS
+464.2132 CC BY-NC 1868.664 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 1
+402.17654 CC BY-NC 1895.068 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 2
+390.23691 CC BY-NC 2274.265 Price et al., RECETOX, Masaryk University (CZ) Tetradecanedioic acid_2TMS
+596.39124 CC BY-NC 3706.675 Price et al., RECETOX, Masaryk University (CZ) Deoxycholic acid_3TMS
+396.19266 CC BY-NC 1706.712 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS
+459.14395 CC BY-NC 1820.179 Price et al., RECETOX, Masaryk University (CZ) Phosphoserine_4TMS
+337.11273 CC BY-NC 1479.336 Price et al., RECETOX, Masaryk University (CZ) Malic acid_3TMS
+256.10553 CC BY-NC 1340.716 Price et al., RECETOX, Masaryk University (CZ) Uracil_2TMS
+555.25403 CC BY-NC 2626.723 Price et al., RECETOX, Masaryk University (CZ) Adenosine_4TMS
+627.2951 CC BY-NC 2694.825 Price et al., RECETOX, Masaryk University (CZ) Adenosine_5TMS
+324.98636 CC BY-NC 1925.08 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_2TMS
+476.2366 CC BY-NC 1850.038 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_4TMS
+308.15137 CC BY-NC 1526.173 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_3TMS
+401.98407 CC BY-NC 1744.992 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_3TMS
+247.11795 CC BY-NC 1267.765 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_2TMS
+219.10622 CC BY-NC 1160.418 Price et al., RECETOX, Masaryk University (CZ) Sarcosine_2TMS
+262.10492 CC BY-NC 1226.577 Price et al., RECETOX, Masaryk University (CZ) 2-Methylmalonic acid_2TMS
+273.12122 CC BY-NC 1518.258 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS
+391.166 CC BY-NC 1654.213 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_3TMS
+330.10126 CC BY-NC 1662.921 Price et al., RECETOX, Masaryk University (CZ) Taurine_3TMS
+508.25763 CC BY-NC 2081.314 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_4TMS
+467.15692 CC BY-NC 1800.533 Price et al., RECETOX, Masaryk University (CZ) Citric acid_4TMS
+581.29388 CC BY-NC 2068.947 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 1
+372.12848 CC BY-NC 1730.0 Price et al., RECETOX, Masaryk University (CZ) Orotic acid_3TMS
+434.20194 CC BY-NC 2091.044 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 2
+373.20316 CC BY-NC 1808.72 Price et al., RECETOX, Masaryk University (CZ) Arginine_3TMS
+539.2533 CC BY-NC 3541.85 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 1
+648.42804 CC BY-NC 3577.725 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 2
+410.17297 CC BY-NC 1548.223 Price et al., RECETOX, Masaryk University (CZ) Threonic acid_4TMS
+325.00406 CC BY-NC 1383.911 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 2
+334.17438 CC BY-NC 1884.285 Price et al., RECETOX, Masaryk University (CZ) Sebacid acid_2TMS
+312.11047 CC BY-NC 1599.903 Price et al., RECETOX, Masaryk University (CZ) Hypotaurine_3TMS
+333.12225 CC BY-NC 2064.473 Price et al., RECETOX, Masaryk University (CZ) Kynurenic acid_2TMS
+390.21848 CC BY-NC 1751.486 Price et al., RECETOX, Masaryk University (CZ) Theanine_3TMS
+318.1786 CC BY-NC 1767.969 Price et al., RECETOX, Masaryk University (CZ) Theanine_2TMS
+311.11298 CC BY-NC 1691.138 Price et al., RECETOX, Masaryk University (CZ) 4-Methoxymandelic acid_2TMS
+404.23398 CC BY-NC 2099.177 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_3TMS
+476.27362 CC BY-NC 2062.792 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_4TMS
+298.28644 CC BY-NC 2123.088 Price et al., RECETOX, Masaryk University (CZ) Methyl stearate
+334.18509 CC BY-NC 1718.079 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_3TMS
+275.17328 CC BY-NC 1489.369 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_2TMS
+305.14038 CC BY-NC 1686.939 Price et al., RECETOX, Masaryk University (CZ) Suberic acid_2TMS
+234.10721 CC BY-NC 1564.514 Price et al., RECETOX, Masaryk University (CZ) alpha-Methylcinammic acid_1TMS
+250.96794 CC BY-NC 1308.31 Price et al., RECETOX, Masaryk University (CZ) Maleic acid_2TMS
+334.14865 CC BY-NC 1513.131 Price et al., RECETOX, Masaryk University (CZ) Hydroxyproline_3TMS
+498.91568 CC BY-NC 2272.319 Price et al., RECETOX, Masaryk University (CZ) Cystine_4TMS
+260.14963 CC BY-NC 1316.851 Price et al., RECETOX, Masaryk University (CZ) Norleucine_2TMS
+329.17691 CC BY-NC 1545.214 Price et al., RECETOX, Masaryk University (CZ) Creatinine_3TMS
+338.13629 CC BY-NC 2077.594 Price et al., RECETOX, Masaryk University (CZ) Ferulic acid_2TMS
+263.09412 CC BY-NC 1396.082 Price et al., RECETOX, Masaryk University (CZ) Glutaric acid_2TMS
+293.12958 CC BY-NC 1508.447 Price et al., RECETOX, Masaryk University (CZ) Methionine_2TMS
+340.14175 CC BY-NC 2274.972 Price et al., RECETOX, Masaryk University (CZ) Cysteine_4TMS
+335.18893 CC BY-NC 1542.761 Price et al., RECETOX, Masaryk University (CZ) Cysteine_3TMS
+305.15805 CC BY-NC 1420.506 Price et al., RECETOX, Masaryk University (CZ) beta-Alanine_3TMS
+263.10043 CC BY-NC 1674.306 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_1TMS
+335.06458 CC BY-NC 1653.322 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_2TMS
+434.26306 CC BY-NC 1908.314 Price et al., RECETOX, Masaryk University (CZ) Lysine_4TMS
+362.22369 CC BY-NC 1687.725 Price et al., RECETOX, Masaryk University (CZ) Lysine_3TMS
+381.16385 CC BY-NC 1764.405 Price et al., RECETOX, Masaryk University (CZ) Methionine sulfoxide_3TMS
+261.10855 CC BY-NC 1226.034 Price et al., RECETOX, Masaryk University (CZ) Valine_2TMS
+390.15857 CC BY-NC 1883.896 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 1
+388.14252 CC BY-NC 1922.836 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 2
+451.21841 CC BY-NC 2614.971 Price et al., RECETOX, Masaryk University (CZ) Sucrose_8TMS
+267.11365 CC BY-NC 1337.622 Price et al., RECETOX, Masaryk University (CZ) Itaconic acid_2TMS
+462.20978 CC BY-NC 1782.877 Price et al., RECETOX, Masaryk University (CZ) Shikimic acid_4TMS
+469.23215 CC BY-NC 1948.663 Price et al., RECETOX, Masaryk University (CZ) Epinepherine_4TMS
+305.16257 CC BY-NC 1883.718 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_2TMS
+232.11545 CC BY-NC 1821.623 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_1TMS
+383.16971 CC BY-NC 1925.553 Price et al., RECETOX, Masaryk University (CZ) Tyrosine_3TMS
+419.12936 CC BY-NC 2058.391 Price et al., RECETOX, Masaryk University (CZ) 3-Chlorotyrosine_3TMS
+229.11282 CC BY-NC 1522.196 Price et al., RECETOX, Masaryk University (CZ) Acetylproline_1TMS
+312.1207 CC BY-NC 1746.645 Price et al., RECETOX, Masaryk University (CZ) Vanillic acid_2TMS
+335.17609 CC BY-NC 1438.379 Price et al., RECETOX, Masaryk University (CZ) Homoserine_3TMS
+404.14093 CC BY-NC 1658.598 Price et al., RECETOX, Masaryk University (CZ) Homoserine_4TMS
+384.16022 CC BY-NC 1813.416 Price et al., RECETOX, Masaryk University (CZ) Homogentisic acid_3TMS
+418.99484 CC BY-NC 2505.27 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_4TMS
+351.15323 CC BY-NC 1645.979 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_3TMS
+464.18985 CC BY-NC 1932.408 Price et al., RECETOX, Masaryk University (CZ) Ascorbic acid_4TMS
+498.86856 CC BY-NC 2728.015 Price et al., RECETOX, Masaryk University (CZ) Spermine_6TMS
+578.1349 CC BY-NC 2238.332 Price et al., RECETOX, Masaryk University (CZ) Spermine_derivative
+484.40952 CC BY-NC 3280.406 Price et al., RECETOX, Masaryk University (CZ) Stigmasterol_1TMS
+194.07974 CC BY-NC 1843.997 Price et al., RECETOX, Masaryk University (CZ) Caffeine
+509.22403 CC BY-NC 2077.476 Price et al., RECETOX, Masaryk University (CZ) Myo-inositol_6TMS
+176.09434 CC BY-NC 1704.209 Price et al., RECETOX, Masaryk University (CZ) Cotinine
+372.27695 CC BY-NC 2940.707 Price et al., RECETOX, Masaryk University (CZ) Progesterone
+266.10165 CC BY-NC 1791.219 Price et al., RECETOX, Masaryk University (CZ) Acetylphenylalanine_1TMS
+351.16812 CC BY-NC 1773.636 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_2TMS
+456.18604 CC BY-NC 2079.217 Price et al., RECETOX, Masaryk University (CZ) Uric acid_4TMS
+261.0784 CC BY-NC 1344.988 Price et al., RECETOX, Masaryk University (CZ) Citraconic acid_2TMS
+314.08749 CC BY-NC 1708.782 Price et al., RECETOX, Masaryk University (CZ) Quinolinic aicd_2TMS
+405.18152 CC BY-NC 1736.717 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_3TMS
+320.11572 CC BY-NC 1759.747 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_2TMS
+464.252 CC BY-NC 2446.155 Price et al., RECETOX, Masaryk University (CZ) Serotonin_4TMS
+390.19714 CC BY-NC 2474.028 Price et al., RECETOX, Masaryk University (CZ) Serotonin_3TMS
+368.15134 CC BY-NC 1998.854 Price et al., RECETOX, Masaryk University (CZ) Xanthine_3TMS
+308.13397 CC BY-NC 1353.518 Price et al., RECETOX, Masaryk University (CZ) Serine_3TMS
+380.17392 CC BY-NC 1559.921 Price et al., RECETOX, Masaryk University (CZ) Serine_4TMS
+462.21869 CC BY-NC 2362.292 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_3TMS
+390.17914 CC BY-NC 2417.979 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 1
+503.2298 CC BY-NC 2479.712 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_derivative
+386.14746 CC BY-NC 2531.8 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 2
+304.17181 CC BY-NC 1950.659 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_2TMS
+475.0034 CC BY-NC 2137.466 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_derivative
+359.02829 CC BY-NC 2197.85 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS
+374.20206 CC BY-NC 2210.789 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS
+416.25623 CC BY-NC 2684.039 Price et al., RECETOX, Masaryk University (CZ) Estradiol_2TMS
+414.24042 CC BY-NC 2717.327 Price et al., RECETOX, Masaryk University (CZ) Dehydroestradiol_2TMS
+426.20065 CC BY-NC 2174.229 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_3TMS
+484.6163 CC BY-NC 2127.988 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_4TMS
+363.17108 CC BY-NC 1603.813 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 1
+328.2792 CC BY-NC 2031.754 Price et al., RECETOX, Masaryk University (CZ) Palmitic acid_1TMS
+350.14514 CC BY-NC 2149.28 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_2TMS
+341.01743 CC BY-NC 2140.445 Price et al., RECETOX, Masaryk University (CZ) 1-Octadecanol_1TMS
+440.22937 CC BY-NC 2063.897 Price et al., RECETOX, Masaryk University (CZ) Dopamine_4TMS
+369.12262 CC BY-NC 1803.491 Price et al., RECETOX, Masaryk University (CZ) Dopamine_3TMS
+371.22736 CC BY-NC 2690.648 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS
+342.20087 CC BY-NC 2649.305 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS
+407.17627 CC BY-NC 2196.115 Price et al., RECETOX, Masaryk University (CZ) 5-Hydroxyindole-3-acetic acid_3TMS
+519.20136 CC BY-NC 2427.129 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 1
+517.20398 CC BY-NC 2478.395 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 2
+326.26367 CC BY-NC 2012.293 Price et al., RECETOX, Masaryk University (CZ) Palmitoleic acid_1TMS
+246.13393 CC BY-NC 1244.507 Price et al., RECETOX, Masaryk University (CZ) Norvaline_2TMS
+323.03726 CC BY-NC 1469.973 Price et al., RECETOX, Masaryk University (CZ) Norvaline_3TMS
+261.11807 CC BY-NC 1887.648 Price et al., RECETOX, Masaryk University (CZ) Methyl-3-indolylacetate_1TMS
+486.42563 CC BY-NC 3342.255 Price et al., RECETOX, Masaryk University (CZ) beta-Sitosterol_1TMS
+294.134 CC BY-NC 1622.569 Price et al., RECETOX, Masaryk University (CZ) Phenylalanine_2TMS
+460.95105 CC BY-NC 1907.744 Price et al., RECETOX, Masaryk University (CZ) Homocitrulline_4TMS
+278.10501 CC BY-NC 1497.347 Price et al., RECETOX, Masaryk University (CZ) Acetylserine_2TMS
+456.37824 CC BY-NC 3220.533 Price et al., RECETOX, Masaryk University (CZ) 7-Dehydrocholesterol_1TMS
+271.08026 CC BY-NC 1506.984 Price et al., RECETOX, Masaryk University (CZ) Salicylic acid_2TMS
+557.59625 CC BY-NC 2684.795 Price et al., RECETOX, Masaryk University (CZ) Cytidine_5TMS
+359.2977 CC BY-NC 2235.718 Price et al., RECETOX, Masaryk University (CZ) Stearic acid_1TMS
+279.13321 CC BY-NC 1866.714 Price et al., RECETOX, Masaryk University (CZ) Adenine_2TMS
+466.22934 CC BY-NC 1884.504 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 1
+351.17252 CC BY-NC 1925.431 Price et al., RECETOX, Masaryk University (CZ) Adenine_3TMS
+480.24384 CC BY-NC 1907.299 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 2
+323.13168 CC BY-NC 1799.822 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_2TMS
+238.07059 CC BY-NC 1842.755 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_1TMS
+458.97305 CC BY-NC 1783.803 Price et al., RECETOX, Masaryk University (CZ) 2-Deoxyglucose_4TMS
+359.11441 CC BY-NC 1734.565 Price et al., RECETOX, Masaryk University (CZ) 2,3-Dihydroxybenzoic acid_3TMS
+468.37845 CC BY-NC 3053.203 Price et al., RECETOX, Masaryk University (CZ) Ergocalciferol_TMS
+270.25577 CC BY-NC 1925.397 Price et al., RECETOX, Masaryk University (CZ) Methyl palmitate
+259.07892 CC BY-NC 1551.845 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 2
+256.1189 CC BY-NC 1432.859 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 1
+331.14514 CC BY-NC 1526.203 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_3TMS
+466.22998 CC BY-NC 1890.842 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 1
+448.21909 CC BY-NC 1911.034 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 2
+349.15625 CC BY-NC 1510.38 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer
+502.42047 CC BY-NC 3147.115 Price et al., RECETOX, Masaryk University (CZ) alpha-Tocopherol_1TMS
+502.332 CC BY-NC 2250.516 Price et al., RECETOX, Masaryk University (CZ) Spermidine_5TMS
+423.76837 CC BY-NC 2199.144 Price et al., RECETOX, Masaryk University (CZ) Spermidine_4TMS
+255.11404 CC BY-NC 1517.806 Price et al., RECETOX, Masaryk University (CZ) Cytosine_2TMS
+327.16107 CC BY-NC 1621.093 Price et al., RECETOX, Masaryk University (CZ) Cytosine_3TMS
+462.2586 CC BY-NC 1850.448 Price et al., RECETOX, Masaryk University (CZ) Glycylvaline_4TMS
+280.11725 CC BY-NC 1802.407 Price et al., RECETOX, Masaryk University (CZ) Hypoxanthine_2TMS
+417.30649 CC BY-NC 2851.973 Price et al., RECETOX, Masaryk University (CZ) Pregnenolone_1TMS
+471.2048 CC BY-NC 2088.587 Price et al., RECETOX, Masaryk University (CZ) Levodopa_4TMS
+224.08672 CC BY-NC 1457.841 Price et al., RECETOX, Masaryk University (CZ) 2-Methoxybenzoic acid_1TMS
+531.23712 CC BY-NC 2673.374 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 1
+557.9187 CC BY-NC 2717.599 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 2
+306.09992 CC BY-NC 1644.168 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_2TMS
+322.14883 CC BY-NC 1381.929 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 1
+326.96603 CC BY-NC 1646.616 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 2
+328.98157 CC BY-NC 1621.799 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 1
+517.22162 CC BY-NC 2681.155 Price et al., RECETOX, Masaryk University (CZ) Cytidine_4TMS
+456.37826 CC BY-NC 3260.078 Price et al., RECETOX, Masaryk University (CZ) Dehydrocholesterol_1TMS
+466.36206 CC BY-NC 3289.183 Price et al., RECETOX, Masaryk University (CZ) Dehydroergosterol_1TMS
+454.36246 CC BY-NC 3242.543 Price et al., RECETOX, Masaryk University (CZ) Cholestatrienol_1TMS
+258.09448 CC BY-NC 1304.064 Price et al., RECETOX, Masaryk University (CZ) Proline_2TMS
diff --git a/tools/tables/test-data/reference.txt b/tools/tables/test-data/reference.txt
new file mode 100644
index 00000000..49c22148
--- /dev/null
+++ b/tools/tables/test-data/reference.txt
@@ -0,0 +1,29 @@
+RI RT
+1300 2.9
+1400 3.2
+1500 3.6
+1600 4.1
+1700 4.5
+1800 4.9
+1900 5.3
+2000 5.7
+2100 6.0
+2200 6.3
+2300 6.6
+2400 6.9
+2500 7.2
+2600 7.4
+2700 7.6
+2800 7.8
+2900 8.1
+3000 8.3
+3100 8.5
+3200 8.8
+3300 9.2
+3400 9.5
+3500 9.9
+3600 10.4
+3700 11.0
+3800 11.7
+3900 12.0
+4000 12.5
\ No newline at end of file
diff --git a/tools/tables/test-data/rename/reference_both_renamed.tabular b/tools/tables/test-data/rename/reference_both_renamed.tabular
new file mode 100644
index 00000000..6132b8d8
--- /dev/null
+++ b/tools/tables/test-data/rename/reference_both_renamed.tabular
@@ -0,0 +1,29 @@
+retention_index retention_time
+1300 2.9
+1400 3.2
+1500 3.6
+1600 4.1
+1700 4.5
+1800 4.9
+1900 5.3
+2000 5.7
+2100 6.0
+2200 6.3
+2300 6.6
+2400 6.9
+2500 7.2
+2600 7.4
+2700 7.6
+2800 7.8
+2900 8.1
+3000 8.3
+3100 8.5
+3200 8.8
+3300 9.2
+3400 9.5
+3500 9.9
+3600 10.4
+3700 11.0
+3800 11.7
+3900 12.0
+4000 12.5
diff --git a/tools/tables/test-data/rename/reference_rt_renamed.tabular b/tools/tables/test-data/rename/reference_rt_renamed.tabular
new file mode 100644
index 00000000..25a301c1
--- /dev/null
+++ b/tools/tables/test-data/rename/reference_rt_renamed.tabular
@@ -0,0 +1,29 @@
+RI retention_time
+1300 2.9
+1400 3.2
+1500 3.6
+1600 4.1
+1700 4.5
+1800 4.9
+1900 5.3
+2000 5.7
+2100 6.0
+2200 6.3
+2300 6.6
+2400 6.9
+2500 7.2
+2600 7.4
+2700 7.6
+2800 7.8
+2900 8.1
+3000 8.3
+3100 8.5
+3200 8.8
+3300 9.2
+3400 9.5
+3500 9.9
+3600 10.4
+3700 11.0
+3800 11.7
+3900 12.0
+4000 12.5
diff --git a/tools/tables/utils.py b/tools/tables/utils.py
new file mode 100644
index 00000000..46209214
--- /dev/null
+++ b/tools/tables/utils.py
@@ -0,0 +1,39 @@
+import argparse
+import pandas as pd
+
+class LoadDataAction(argparse.Action):
+ def __call__(self, parser, namespace, values, option_string=None):
+ file_path, file_extension = values
+ file_extension = file_extension.lower()
+ if file_extension == 'csv':
+ df = pd.read_csv(file_path)
+ elif file_extension in ['tsv', 'tabular']:
+ df = pd.read_csv(file_path, sep='\t')
+ elif file_extension == 'parquet':
+ df = pd.read_parquet(file_path)
+ else:
+ raise ValueError(f"Unsupported file format: {file_extension}")
+ setattr(namespace, self.dest, df)
+
+def write_csv(df, file_path):
+ df.to_csv(file_path, index=False)
+
+def write_tsv(df, file_path):
+ df.to_csv(file_path, sep='\t', index=False)
+
+def write_parquet(df, file_path):
+ df.to_parquet(file_path, index=False)
+
+class StoreOutputAction(argparse.Action):
+ def __call__(self, parser, namespace, values, option_string=None):
+ file_path, file_extension = values
+ file_extension = file_extension.lower()
+ if file_extension == 'csv':
+ write_func = write_csv
+ elif file_extension in ['tsv', 'tabular']:
+ write_func = write_tsv
+ elif file_extension == 'parquet':
+ write_func = write_parquet
+ else:
+ raise ValueError(f"Unsupported file format: {file_extension}")
+ setattr(namespace, self.dest, (write_func, file_path))
\ No newline at end of file