(no subject)

From: sur (sur@chem.rochester.edu)
Date: Fri Jan 30 2004 - 07:37:10 PST


Hi Peter,

I am trying to set up a 60 pack Bruker autosampler so that it will collect
60 spectra and plots each spectrum twice, once from 10 to 0 ppm and another
from 6 to 4 ppm. I am using a 300 with UXNMR 940501.3.

Alternatively, I need to replot all the spectra from 6 to 4 ppm after all
60 spectra are collected.

The PROTONEXP parameter file in the 'SET' command window uses expansion
(PLOTX) based on integration file (INTRNG or REG). However, I want only
one expansion plot from 6 to 4 ppm. Can someone tell me how to do that.

The PROTONEXP parameter file has in it a PROC file that says that it uses
AUNMP = proc_1dexp. How we can make sure that the au program proc_1dexp is
using the right text file 'reg' and the integration region 6 to 4 ppm
listed in it??
Is there a way to execute plotx in proc_1dexp in such a way that the
integration region 6 to 4 ppm is always used in automation. I tried
creating and modifying the reg file and also changing the reg files in the
parameter directories, compiling the proc_1dexp au program but I am unable
to do the desired expansion plot consistently even when LIMITS is set to
REGION. What will be the step by step procedure?

TO REPLOT THE SPECTRA BETWEEN 6 and 4 PPM:
I have modified the multi_xfb au program to replot simple 1d spectra and it
works fine. My problem is that the automation program increments the
filename from name.001 to name.060, instead of incrementing the expnos from
1 to .... Is there an appropriate au program available to plot many
spectra with a single command by incrementing file names as obtained from
the SET/RUN automation?? or, is it possible to increment expno in the SET
command window and I don't know how. The SET command window keeps expno
fixed at 10.

I can also write a macro to replot all spectra, but again that requires
inputing all 60 file names!! Is there an easier way?

Thanks,

Sandip



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