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 post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/spctools-discuss. To view this discussion on the web visit https://groups.google.com/d/msgid/spctools-discuss/91f4353b-a8fa-4563-8ffa-db5ca90c654f%40googlegroups.com. For more options, visit https://groups.google.com/d/optout.
