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Working on supporting time-resolved spectra #70

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Working on supporting time-resolved spectra #70

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571ccd5
add first new key for time-resolved spectra
Feb 11, 2023
8110305
tentatively add new block 11 key for time-resolved spectra
Feb 11, 2023
ef060c0
Tentative key mapping for block 27 for time-resolved spectra
Feb 11, 2023
6d290dd
tentative key for block 27 channel 132
Feb 11, 2023
0537a04
tentative block 11, channel 132
Feb 11, 2023
70bf378
tentative block 7, channel 132
Feb 11, 2023
04a8e5b
tentative block 23, channel 136
Feb 11, 2023
4873661
tentative block 23, channel 4
Feb 11, 2023
1ffa3ff
tentative block 15, channel 16
Feb 11, 2023
d5d5012
tentative block 7, channels 4 and 8
Feb 11, 2023
caae041
Tentative block 7, channel 136
Feb 11, 2023
da977b5
tentative: fix `read_class`
Feb 11, 2023
1b13a5d
tentative block 23, channels 8 and 132
Feb 11, 2023
6bb2f74
tentative block 31, channel 134
Feb 11, 2023
24023ba
tentative block 0, channel 28; could be parameter
Feb 11, 2023
a0e0a48
tentative block 15, channel 144
Feb 11, 2023
558a202
fix data types for block 23 channel 4 and block 27 channel 136
Feb 11, 2023
fb738b3
block 15, channel 16 might be a more complex data structure
Feb 11, 2023
02f298b
Merge branch 'main' into feat-67-time-resolved-spectra
Feb 16, 2023
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42 changes: 42 additions & 0 deletions R/create_dataset.R
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Original file line number Diff line number Diff line change
Expand Up @@ -32,56 +32,98 @@ create_dataset <- function(header_data) {
# guess general text
"b0-c0-t\\d+-a(0|64)" = c(read_class = "text", block_type_name = "text_information"),

# new key for time-resolved spectra
"b0-c28-t80-a0" = c(read_class = "parameter", block_type_name = "unknown_timeresolved0_c28"),

# block code 7 -----------------------------------------------------------------------------
# spectrum types of sample
"b7-c4-t0-a(0|64)" = c(read_class = "data", block_type_name = "sc_sample"),

# new keys for time-resolved spectra
"b7-c4-t80-a0" = c(read_class = "data", block_type_name = "unknown_timeresolved7_c4"),
"b7-c8-t80-a0" = c(read_class = "data", block_type_name = "unknown_timeresolved7_c8"),
"b7-c8-t0-a(0|64)" = c(read_class = "data", block_type_name = "ig_sample"),
"b7-c12-t0-a(0|64)" = c(read_class = "data", block_type_name = "ph_sample"),

# new keys for time-resolved spectra
"b7-c132-t80-a0" = c(read_class = "data", block_type_name = "unknown_timeresolved7_c132"),
"b7-c136-t80-a0" = c(read_class = "data", block_type_name = "unknown_timeresolved7_c136"),

# block code 11 ----------------------------------------------------------------------------
# spectrum types of reference (background)
"b11-c4-t0-a(0|64)" = c(read_class = "data", block_type_name = "sc_ref"),
"b11-c8-t0-a(0|64)" = c(read_class = "data", block_type_name = "ig_ref"),
"b11-c12-t0-a(0|64)" = c(read_class = "data", block_type_name = "ph_ref"),

# new keys for time-resolved spectra
"b11-c132-t0-a0" = c(read_class = "data", block_type_name = "unknown_timeresolved11_c132"),
"b11-c136-t0-a0" = c(read_class = "data", block_type_name = "unknown_timeresolved11_b136"),

# block code 15 -----------------------------------------------------------------------------
# spectrum report blocs
# channel code 15: save (apparent) absorbance
"b15-c16-t112-a0" = c(read_class = "parameter", block_type_name = "quant_report_ab"),
"b15-c16-t104-a1" = c(read_class = "parameter", block_type_name = "me_test_report_ab"),
"b15-c16-t0-a64" = c(read_class = "data", block_type_name = "ab_no_atm_comp"),
"b15-c16-t0-a0" = c(read_class = "data", block_type_name = "ab"),
# new key for time-resolved spectra
"b15-c16-t80-a0" = c(read_class = "text", block_type_name = "unknown_timeresolved15_c16"),
# channel code 48: save reflectance (settings
"b15-c48-t112-a0" = c(read_class = "parameter", block_type_name = "quant_report_refl"),
"b15-c48-t104-a1" = c(read_class = "parameter", block_type_name = "me_test_report_refl"), # check "a1"
"b15-c48-t0-a64" = c(read_class = "data", block_type_name = "refl_no_atm_comp"),
"b15-c48-t0-a0" = c(read_class = "data", block_type_name = "refl"),
# channel code 88 and 216: spectra matching
"b15-c88-t0-a(0|64)" = c(read_class = "data", block_type_name = "match"),

# new key for time-resolved spectra
"b15-c144-t80-a0" = c(read_class = "data", block_type_name = "unknown_timeresolved15_c144"),
"b15-c216-t0-a(0|64)" = c(read_class = "data", block_type_name = "match_2_chn"),

# block code 16 -----------------------------------------------------------------------------
# new key for time-resolved spectra
# tbd check `read_class`
"b16-c28-t80-a0" = c(read_class = "parameter", block_type_name = "unknown_timeresolved16"),

# block code 23 -----------------------------------------------------------------------------
# data parameters (metadata) for spectrum types of sample
"b23-c4-t0-a(0|64)" = c(read_class = "parameter", block_type_name = "sc_sample_data_param"),
"b23-c8-t0-a(0|64)" = c(read_class = "parameter", block_type_name = "ig_sample_data_param"),
"b23-c12-t0-a(0|64)" = c(read_class = "parameter", block_type_name = "ph_sample_data_param"),

# new keys for time-resolved spectra
"b23-c4-t80-a0" = c(read_class = "text", block_type_name = "unknown_timeresolved23_c4"),
"b23-c8-t80-a0" = c(read_class = "parameter", block_type_name = "unknown_timeresolved23_c8"),
"b23-c132-t80-a0" = c(read_class = "parameter", block_type_name = "unknown_timeresolved23_c132"),
"b23-c136-t80-a0" = c(read_class = "parameter", block_type_name = "unknown_timeresolved23_c136"),

# block code 27 -----------------------------------------------------------------------------
# data parameters (metadata) for spectrum types of reference (background)
"b27-c4-t0-a(0|64)" = c(read_class = "parameter", block_type_name = "sc_ref_data_param"),
"b27-c8-t0-a(0|64)" = c(read_class = "parameter", block_type_name = "ig_ref_data_param"),
"b27-c12-t0-a(0|64)" = c(read_class = "parameter", block_type_name = "ph_ref_data_param"),

# new keys for time-resolved spectra
"b27-c132-t0-a0" = c(read_class = "parameter", block_type_name = "unknown_timeresolved27_c132"),
"b27-c136-t0-a0" = c(read_class = "text", block_type_name = "unknown_timeresolved27_c136"),

# block code 31 -----------------------------------------------------------------------------
# data parameters (metadata) when spectra (normalized single channels) saved in apparent absorbance
"b31-c16-t0-a64" = c(read_class = "parameter", block_type_name = "ab_no_atm_comp_data_param"),
"b31-c16-t0-a0" = c(read_class = "parameter", block_type_name = "ab_data_param"),

# new key for time-resolved spectra
"b31-c16-t80-a0" = c(read_class = "parameter", block_type_name = "unknown_timeresolved31_c16"),

# data parameters (metadata) when spectra (normalized single channels) saved in reflectance
"b31-c48-t0-a64" = c(read_class = "parameter", block_type_name = "refl_no_atm_comp_data_param"),
"b31-c48-t0-a0" = c(read_class = "parameter", block_type_name = "refl_data_param"),

# data parameters (metadata) for spectra matching
"b31-c88-t0-a(0|64)" = c(read_class = "parameter", block_type_name = "match_data_param"),

# new key for time-resolved spectra
"b31-c144-t80-a0" = c(read_class = "parameter", block_type_name = "unknown_timeresolved31_c144"),
"b31-c216-t0-a(0|64)" = c(read_class = "parameter", block_type_name = "match_2_chn_data_param"),

## General metadata blocks
Expand Down