Hi, Ok, then we keep it as the Sparky format. When a user encounters a non-Sparky format, we can deal with it then.
Cheers, Edward On 2 August 2013 17:50, Troels Emtekær Linnet <[email protected]> wrote: > 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
