CCMS-UCSD / GNPS_Workflows

Public Workflows at GNPS
https://gnps.ucsd.edu/
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[FBMN] Inconsistent precursor m/z value showed in network #783

Open lfnothias opened 3 years ago

lfnothias commented 3 years ago

The m/z values are shifted by 2 Da between what is shown in the network visualizer/cytoscape and the actual data. This could be specific to negative ionisation mode data.

See for example FEATURE_ID=159 with m/z 497.093 in the node table/feature table and MGF but m/z -495.0933 in the network visualizer and cytoscape file. https://gnps.ucsd.edu/ProteoSAFe/result.jsp?task=093130f536804c859203cb8dd1251b6a&view=view_all_clusters_withID#%7B%22main.cluster%20index_lowerinput%22%3A%22159%22%2C%22main.cluster%20index_upperinput%22%3A%22159%22%7D

PS: I like the negative value for negative ionisation