Re: [sr #3043] Support for NMRPipe seriesTab format *.ser -- June 21, 2013 - 20:22

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 <edward@xxxxxxxxxxxxx>

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

<NO-REPLY.INVALID-ADDRESS@xxxxxxx> 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)
>     _______________________________________________________
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> File name: trunk_SeriesTab4_2             Size:1 KB
>
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