If -list list_of_files.txt contains:
../0/test.ft2
../1/test.ft2
../2/test.ft2
../3/test.ft2
Then this comes out.
----------------------
REMARK SeriesTab Input: ../../peaks.dat Output: allexp.ser
REMARK Mode: Summation Dimensions: 2
REMARK Input Region: X +/- 0 X-ZF: 1
REMARK Analysis Region: X +/- 0
REMARK Input Region: Y +/- 0 Y-ZF: 1
REMARK Analysis Region: Y +/- 0
VARS INDEX X_AXIS Y_AXIS X_PPM Y_PPM VOL ASS Z_A0 Z_A1 Z_A2 Z_A3
FORMAT %5d %9.3f %9.3f %8.3f %8.3f %+e %s %7.4f %7.4f %7.4f %7.4f
NULLVALUE -666
NULLSTRING *
1 254.059 150.545 8.525 116.014 +1.660865e+05 A2N-H 1.0000
1.1887 1.1893 1.1876
2 236.553 58.937 8.696 125.904 +8.106413e+05 A3N-H 1.0000
1.1940 1.1935 1.1954
3 193.454 86.021 9.117 122.980 +4.835453e+05 A4N-H 1.0000
1.1958 1.1962 1.1941
4 161.310 107.270 9.431 120.686 +2.538240e+05 A5N-H 1.0000
1.1919 1.1934 1.1924
5 165.097 30.288 9.394 128.997 +4.701862e+05 A6N-H 1.0000
1.1965 1.1959 1.1970
6 184.650 63.133 9.203 125.451 +4.951762e+05 A7N-H 1.0000
1.1937 1.1929 1.1910
7 229.694 53.861 8.763 126.452 +4.193051e+05 A8N-H 1.0000
1.1936 1.1971 1.1939
8 277.092 99.897 8.300 121.482 +5.726205e+05 A9N-H 1.0000
1.1961 1.1976 1.1986
9 243.719 183.928 8.626 112.410 +5.105667e+05 A10N-H 1.0000
1.1966 1.1961 1.1966
You would have to tell that the intensity is Col[6] X Col[line_nr+8]
Troels Emtekær Linnet
2013/6/21 Edward d'Auvergne <[email protected]>
> Hi,
>
> This might be too difficult to incorporate into the current
> spectrum.read user function. I'm not 100% sure what you mean yet
> though. Would you be able to illustrate with examples? Maybe this
> could be considered after the single files can be successfully read.
>
> Regards,
>
> Edward
>
>
>
> On 21 June 2013 20:21, Troels Emtekær Linnet <[email protected]> wrote:
> > SeriesTab can be used for single files, if the keyword
> >
> > -list list_of_files.txt
> > only contains one file.
> >
> > Then the intensity will be read from column 6.
> > This is FINE for the GUI.
> >
> > But, if you provide it a list of several files, they will be compared,
> to 5
> > digits.
> > This is a nice feature, since you now have a matrix possibility.
> >
> > Say that you have a dispersion experiment and record 20 interleaved
> spectra.
> > Then you change a parameter somewhere, and have 20 new files. And repeat.
> > All this can be contained in one big file.
> >
> > So, you want to create a python file, which go through the list file, and
> > takes Col[line_number +7] * Col[5]
> > And then you have the name for the spectrum from the list file.
> >
> > Sooooo..... I would need this feature!
> >
> >
> >
> >
> > Troels Emtekær Linnet
> >
> >
> > 2013/6/21 Edward d'Auvergne <[email protected]>
> >>
> >> Hi,
> >>
> >> For this one I would prefer not to apply the patch. I think there are
> >> already too many keyword arguments for the spectrum.read user function
> >> and the GUI interface for it will be too crowded. And as I mentioned
> >> at:
> >>
> >> http://thread.gmane.org/gmane.science.nmr.relax.devel/3963/focus=4066
> >>
> >> we should be able to determine the scaling column from the *.ser file.
> >> What do you think?
> >>
> >> Regards,
> >>
> >> Edward
> >>
> >>
> >>
> >> On 21 June 2013 20:04, Troels E. Linnet
> >> <[email protected]> wrote:
> >> > Follow-up Comment #26, sr #3043 (project relax):
> >> >
> >> > Intensity column keyword added for NMRPipe SeriesTab format.
> >> >
> >> > Progress sr #3043: (https://gna.org/support/index.php?3043) Support
> for
> >> > NMRPipe seriesTab format *.ser
> >> >
> >> > Added the keyword "col_mult":
> >> > """ The column which to multiply the peak intensity data (used by the
> >> > SeriesTab intensity file format). """
> >> > If the file 'allplanes.list' contains several paths to .ft2 files, the
> >> > call
> >> > to:
> >> > seriesTab -in peaks.dat -out allplanes.ser -list allplanes.list
> >> > will give a result file where the the total intensity will be given by
> >> > column:
> >> > VOL x Z_A0 etc.
> >> >
> >> > The result file contain the VARS keyword:
> >> > INDEX X_AXIS Y_AXIS X_PPM Y_PPM VOL ASS Z_A0 Z_A1 Z_A2 Z_A3
> >> > Where Z_A0 Z_A1 Z_A2 Z_A3 matches allplanes.list
> >> >
> >> > An 'allplanes.list' is easily created by:
> >> >> ls -v -d -1 /.ft2 > allplanes.list
> >> >
> >> >
> >> > (file #18152)
> >> > _______________________________________________________
> >> >
> >> > Additional Item Attachment:
> >> >
> >> > File name: trunk_SeriesTab4_2 Size:1 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]
> >> >
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> >
> >
>
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