I have the same issue here with other NIST library. Can somebody help on this? thanks!
On Monday, May 13, 2019 at 10:21:44 AM UTC-7, Lei Wang wrote: > > Hi there! > > I am using SpectraST to create a library on the NIST synthetic HCD dataset > https://chemdata.nist.gov/dokuwiki/doku.php?id=peptidew:lib:kustersynselected20170530 > . > > This is the command I used: ./spectrast -c -cI HCD > human_synthetic_hcd_selected.msp > > However, i got complaints like the following: > Importing spectra from .msp library file... > Attempting to calculate M/Z with charge = 0! Assume charge = 1. > ... > Attempting to calculate M/Z with charge = 0! Assume charge = 1. > > > I am not sure what is going on. Could you please help? > > Thanks, > Lei > -- You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/spctools-discuss/94190bba-c1e3-4b74-949a-07f8747fab91%40googlegroups.com.
