Subject: Re: [nmr_sparky] cyana extensions
From: Eiso AB
Date: Aug 19, 2011

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hi Tom,

this looks like a bug in ucsfdata:

when I try to modify the downfield chemical shift and write to a new
ucsf file
it looks like both the inoput and output file are modified (see below).

or am I doing something wrong?

thanks, Eiso

% bruk2ucsf pdata/1/2rr t.ucsf
% cp t.ucsf t2.ucsf
% ucsfdata t2.ucsf
axis w1 w2
nucleus 13C 1H
matrix size 2048 2048
block size 64 64
upfield ppm 6.014 -2.251
downfield ppm 26.014 11.775
spectrum width Hz 3018.102 8417.509
transmitter MHz 150.905 600.133
% ucsfdata t.ucsf
axis w1 w2
nucleus 13C 1H
matrix size 2048 2048
block size 64 64
upfield ppm 6.014 -2.251
downfield ppm 26.014 11.775
spectrum width Hz 3018.102 8417.509
transmitter MHz 150.905 600.133
% ucsfdata -o1 27.7697 -o t2.ucsf t.ucsf
% ucsfdata t.ucsf
axis w1 w2
nucleus 13C 1H
matrix size 2048 2048
block size 64 64
upfield ppm 7.770 -2.251
downfield ppm 27.770 11.775
spectrum width Hz 3018.102 8417.509
transmitter MHz 150.905 600.133
% ucsfdata t2.ucsf
axis w1 w2
nucleus 13C 1H
matrix size 2048 2048
block size 64 64
upfield ppm 7.770 -2.251
downfield ppm 27.770 11.775
spectrum width Hz 3018.102 8417.509
transmitter MHz 150.905 600.133