Hi Edward. When you generate NMRPipe series tab file, you need to have a file with the spectral points.
See example here: http://wiki.nmr-relax.com/NMRPipe_seriesTab VARS INDEX X_AXIS Y_AXIS X_PPM Y_PPM VOL ASS FORMAT %5d %9.3f %9.3f %8.3f %8.3f %+e %s 1 246.658 18.268 9.932 128.374 +7.000000e+05 W62NE1-W62HE1 2 321.698 30.994 9.419 127.066 +7.000000e+05 L10N-L10HN 3 320.089 55.737 9.430 124.523 +7.000000e+05 V6N-V6HN It is the X_AXIS and Y_AXIS spectral points that is essential to make the summation correct. And it will just snap the assignment in the last column, without any check (As far as I know.) If you use SPARKY to export your file, you should get the assignment as seen above. And you get the Y_AXIS X_PPM Y_PPM. You can calculate X_AXIS Y_AXIS, if you extract information from use of nmrpipe "head" on the .ft2 file But here comes the trouble. Different NMR program can export in SPARKY like format, but always a little different. So, until now, I keep it in SPARKY format. Best Troels Emtekær Linnet 2013/8/2 Edward d'Auvergne <[email protected]> > > Hi Troels, > > I'm getting through you patches and have applied the first two. These > are ok. I have an issue with > 0003-The-ID-of-spins-in-seriesTab_multi.ser-was-not-forma.patch though > (git hash f49b4f096773cb2f7ecb70293122e03b0b40e889). It says that you > are changing the seriesTab_multi.ser file's 'ASS' column format to > that of Sparky. Why is this so? Is there an NMRPipe seriesTab format > which is different from Sparky? If so, we should support that. > > Cheers, > > Edward > > > On 2 August 2013 17:29, Troels E. Linnet > <[email protected]> wrote: > > Follow-up Comment #53, sr #3043 (project relax): > > > > Multi colums import now supported. > > > > Note, I made it possible to autogenerate spectrum ID's, if > > spectrum_id='auto' for the function: > > > > spectrum.read_intensities(file="seriesTab_multi.ser", > > dir=status.install_path > > + sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', spectrum_id='auto', > > int_method='point sum') > > > > (file #18619) > > _______________________________________________________ > > > > Additional Item Attachment: > > > > File name: stab.patch.tar.gz Size:4 KB > > > > > > _______________________________________________________ > > > > Reply to this item at: > > > > <http://gna.org/support/?3043> > > > > _______________________________________________ > > Message sent via/by Gna! > > http://gna.org/ > > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
