mailRe: [sr #3043] Support for NMRPipe seriesTab format *.ser


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Posted by Edward d'Auvergne on June 21, 2013 - 20:09:
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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Additional Item Attachment:

File name: trunk_SeriesTab4_2             Size:1 KB


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