Load peak lists with missing columns
eisoab opened this issue · 2 comments
Hey João,
I'm trying to load these peak lists, but it doesn't accept them:
Number,#,Position F1,Position F2,Assign F1,Assign F2,Height,Volume,Line Width F1 (Hz),Line Width F2 (Hz)
1,5,9.97819,129.89184,None,None,1.47768e+05,7.05006e+05,15.56183,11.92637
2,18,7.79937,125.55096,None,None,1.90054e+04,1.12761e+05,90.17787,14.02462
3,21,8.15878,125.42140,None,None,3.57420e+04,2.04122e+05,19.60453,14.93181
4,28,7.95007,124.86801,None,None,2.38312e+04,1.16484e+05,17.99695,11.62336
Can it be acceptable?
Thanks!
Cheers, Wouter
Hello Wouter,
Thanks for raising this issue.
A new parsing routine has been implemented to allow parsing of CCPNMRv2 peaklists that contain less columns than "all columns". The implemented parser demands that columns Position F1, Position F2, Assign F1 and Assign F2 are present in the peaklist .csv file.
Please note: the peaklist you have posted here as example lacks assignment information, assignment columns have the value None. Farseer-NMR cannot yet read unassigned entries. If you wish to evaluate unassigned residues I suggest you just label residues as
1GlyH, 1GlyN
2GlyH, 2GlyN
etc...
following the ccpn assignment nomenclature.
you can now update your Farseer-NMR folder, if you have install it via git, simply navigate to the Farseer-NMR folder and do:
git pull
You can ask any further questions via the mailing list or use the Issue tab here to report additional features or bugs.
Best,
João
Addressed in #290