v. 0.9.28

ludwigc · Mar 6, 2024 · 22ee861 · 22ee861
1 parent 21f6c48
commit 22ee861
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Showing 2 changed files with 6 additions and 6 deletions.
diff --git a/metabolabpy/__init__.py b/metabolabpy/__init__.py
@@ -1,4 +1,4 @@
 __author__ = 'Christian Ludwig ([email protected])'
 __credits__ = 'Christian Ludwig ([email protected])'
-__version__ = '0.9.27'
+__version__ = '0.9.28'
 __license__ = 'GPLv3'
diff --git a/metabolabpy/nmr/nmrDataSet.py b/metabolabpy/nmr/nmrDataSet.py
@@ -599,16 +599,16 @@ def export_data_set(self, cmd_name='finish'):
                         self.wb["variable_meta"]["A" + str(k+2)] = p_str1 + p_str2
                         self.wb["variable_meta"]["B" + str(k+2)] = ppm_vect[spc_selected[k]]
                         self.wb["variable_meta"]["C" + str(k+2)] = bin_range[spc_selected[k]]
-                        if k > 0 and k < (len(ppm_vect) - 1):
+                        if k > 0 and k < len(spc_selected) - 1:
                             if spc_selected[k] - spc_selected[k - 1] > 1 and spc_selected[k+1] - spc_selected[k] > 1:
-                                self.wb["variable_meta"]["D" + str(k+2)] = ppm_vect[spc_selected[k + 1] - 1] - delta_ppm
-                                self.wb["variable_meta"]["E" + str(k+2)] = ppm_vect[spc_selected[k - 1] + 1] + delta_ppm
+                                self.wb["variable_meta"]["D" + str(k + 2)] = ppm_vect[spc_selected[k + 1] - 1] - delta_ppm
+                                self.wb["variable_meta"]["E" + str(k + 2)] = ppm_vect[spc_selected[k - 1] + 1] + delta_ppm
                             else:
                                 self.wb["variable_meta"]["D" + str(k + 2)] = ppm_vect[spc_selected[k]] - delta_ppm
                                 self.wb["variable_meta"]["E" + str(k + 2)] = ppm_vect[spc_selected[k]] + delta_ppm
                         else:
-                            self.wb["variable_meta"]["D" + str(k+2)] = ppm_vect[spc_selected[k]] - delta_ppm
-                            self.wb["variable_meta"]["E" + str(k+2)] = ppm_vect[spc_selected[k]] + delta_ppm
+                            self.wb["variable_meta"]["D" + str(k + 2)] = ppm_vect[spc_selected[k]] - delta_ppm
+                            self.wb["variable_meta"]["E" + str(k + 2)] = ppm_vect[spc_selected[k]] + delta_ppm
 
                     self.wb.save(f_name)
                     self.wb = []