feat: change value for deuterium oxide

ComPlat · Oct 2, 2023 · 8898a25 · 8898a25
1 parent 492e4b1
commit 8898a25
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/chem_spectra/lib/converter/share.py b/chem_spectra/lib/converter/share.py
@@ -165,9 +165,9 @@ def parse_solvent(base):
                 base.dic['$CSSOLVENTX'] = ['0']
                 base.solv_peaks = [(peak - delta, peak + delta)]
             elif 'deuterium' in orig_solv:
-                peak = 4.75
+                peak = 4.79
                 delta = 0.01
-                base.dic['$CSSOLVENTNAME'] = ['Deuterium oxide (s)']
+                base.dic['$CSSOLVENTNAME'] = ['D2O (s)']
                 base.dic['$CSSOLVENTVALUE'] = [str(peak)]
                 base.dic['$CSSOLVENTX'] = ['0']
                 base.solv_peaks = [(peak - delta, peak + delta)]