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NMRPipe seriesTab

100 bytes added, 16:08, 21 October 2020
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== seriesTab ==[http://spin.niddk.nih.gov/NMRPipe/ref/prog/seriestab.html seriesTab] can extract Max Values maximum values or Sum the sum of regions in an NMRPipe-formatSpectral Seriesspectral series, using an NMRPipe-format Peak Table peak tables as Inputinput.
See homepage<br>http://spin.niddk.nih.gov/NMRPipe/ref/prog/seriestab.html== Usage ==
A call to the function could beAn example program usage is: <source lang=bash>seriesTab -in peaks.dat -out peaks_0.ser -list files.list -sum -dx 1 -dy 1</source>
'''peaks.dat''' contains the peak list with information of spectral position
<source lang="text">
VARS INDEX X_AXIS Y_AXIS X_PPM Y_PPM VOL ASS
FORMAT %5d %9.3f %9.3f %8.3f %8.3f %+e %s
<source lang="text">
test.ft2
</source>
 
Or create the files list by:
<source lang=bash>
ls -v -d -1 */*.ft2 > files.list
</source>
A call to function could be:
<source lang="bash">
#! /bin/csh -f
set x = 0;
while ( $x <= 22 )
cd $x
seriesTab -in ../peaks.dat -out ../peaks_${x}.ser -list ../files.list-sum -dx 1 -dy 1
cd ..
@ x = $x + 1
The output is:
<source lang="text">
REMARK SeriesTab Input: ../peaks.dat Output: ../peaks_0.ser
REMARK Mode: Summation Dimensions: 2
NULLSTRING *
1 246.658 18.268 9.932 128.374 +1.851056e+06 W62NE1-W62HE11.0000
2 321.698 30.994 9.419 127.066 +3.224387e+05 L10N-L10HN 1.0000
3 320.089 55.737 9.430 124.523 +1.479366e+06 V6N-V6HN 1.0000
format is quite similar to this. <br>
This is an export from CcpNmr Analysis
<source lang="text">
Assignment w1 w2 Height Volume
W62NE1-W62HE1 128.374 9.932 0.00E+00 0.00E+00 --
V6N-V6HN 124.523 9.430 0.00E+00 0.00E+00 --
</source>
 
== See also ==
[[Category:NMRPipe]]
[[Category:Peak_lists]]
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