You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Loading in a library file in v0.12.0, compounds that do not have a formula (like isotope labeled internal standards) get dropped if they only have a value in the column "mass". Compounds that have no formula but do have a value in the column "mz" load in just fine. I attached a library file that has this issue. lib_pos_testing _mass.csv
I was once told that if a compound has no formula and no mz but does have a mass, that mass will be used and corrected for the selected ionisation mode. I found another post on this forum that confirmed this, but this solution doesn't seem to be working now #1282.
For my usecase it would be much handier to work with neutral mass as I have to make some libraries with internal standards that should work both in positive and negative ionisation modes in tracer studies.
OS: windows 10 enterprise 64-bit (build 19042)
Thank you for your time!
The text was updated successfully, but these errors were encountered:
Loading in a library file in v0.12.0, compounds that do not have a formula (like isotope labeled internal standards) get dropped if they only have a value in the column "mass". Compounds that have no formula but do have a value in the column "mz" load in just fine. I attached a library file that has this issue.
lib_pos_testing _mass.csv
I was once told that if a compound has no formula and no mz but does have a mass, that mass will be used and corrected for the selected ionisation mode. I found another post on this forum that confirmed this, but this solution doesn't seem to be working now #1282.
For my usecase it would be much handier to work with neutral mass as I have to make some libraries with internal standards that should work both in positive and negative ionisation modes in tracer studies.
OS: windows 10 enterprise 64-bit (build 19042)
Thank you for your time!
The text was updated successfully, but these errors were encountered: