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fixed bug in library creation with M+1
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@e-stan
e-stan committed Mar 4, 2022
1 parent 83546e0 commit de87fd0
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1 change: 1 addition & 0 deletions GUI/buildGUI.py
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Expand Up @@ -21,6 +21,7 @@
'--add-binary=%s' % '../src/DecoID/model.zip;.',
'--add-binary=%s' % '../src/DecoID/frac_shared_frag_log_reg_Negative.pkl;.',
'--add-binary=%s' % '../src/DecoID/frac_shared_frag_log_reg_Positive.pkl;.',
#'--add-data=%s' % 'C:/Users/Ethan/AppData/Local/Programs/Python/Python37/Lib/site-packages/matplotlib/mpl-data/matplotlibrc;.',
'-y',
'decoIDGUI.py'])

Binary file modified exampleData/Asp-Mal_1uM_5Da.DecoID
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2 changes: 1 addition & 1 deletion exampleData/Asp-Mal_1uM_5Da_decoID.csv
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#featureID,isolation_center_m/z,rt,compound_m/z,compound_rt,compound_formula,DB_Compound_ID,Compound_Name,DB_Spectrum_ID,dot_product,ppm_Error,isotope_similiarity,Abundance,ComponentID,redundant
0,133.014373779297,0.45985111999999995,133.0142,-1,C4H6O5,BJEPYKJPYRNKOW-UWTATZPHSA-N,D-Malic acid,HMDB0031518,99.29750772089815,-1.306470060813177,0.5,0.9485918506154046,BJEPYKJPYRNKOW-UWTATZPHSA-N,False
0,133.014373779297,0.45985111999999995,133.0142,-1,C4H6O5,BJEPYKJPYRNKOW-UWTATZPHSA-N,D-Malic acid,HMDB0031518,99.29582003923348,-1.306470060813177,0.5,0.9490455124187609,BJEPYKJPYRNKOW-UWTATZPHSA-N,False
8 changes: 4 additions & 4 deletions exampleData/Asp-Mal_1uM_5Da_scanInfo.csv
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#featureID,Signal to Noise Ratio,numComponents,componentID,componentRT,componentAbundance,componentMz,spectrum
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