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


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Posted by Edward d'Auvergne on June 21, 2013 - 17:24:
Hi,

For this 'patch4' file
(https://gna.org/support/download.php?file_id=18137), I would suggest
that the col_mult argument should not be used as it appears that we
can automatically determine the column from the seriesTab.ser file.
We can get this information from the VARS line.

The philosophy behind the spectrum.read user function is to minimise
the user interaction.  Everything is automatically determined, from
the file format to all of the file layout information.  So I think we
should, at least in this case, avoid a new argument as it only can
confuse the user.

Regards,

Edward



On 21 June 2013 15:35, Troels E. Linnet
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Follow-up Comment #4, sr #3043 (project relax):

Added initial definitions for which file/function to call for the NMRPipe
SeriesTab file format in the pipe_control/spectrum.py file.

Added the keyword "col_mult", which means:

"""
The column which to multiply the peak intensity data (used by the SeriesTab
intensity file format).
"""

A call to: seriesTab -in ../../peaks.dat -out allplanes.ser -list
allplanes.list

and if allplanes.list contains several file lines,

The intensity will be given by column: VOL x Z_A0 etc.
INDEX X_AXIS Y_AXIS X_PPM Y_PPM VOL ASS Z_A0 Z_A1 Z_A2 Z_A3

according to the allplanes.list
This is easily created by:

ls -v -d -1 */*.ft2 > allplanes.list




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