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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