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Chapter 9. Carousel, SMS, and NMS Automation
9.10 Automated Data Processing
In an automation run, any processing done as part of the experiment is governed by four
parameters: werr, wbs, wnt, and wexp.
werr contains the name of the macro that runs if an error is detected during the experiment
(receiver overflow, lost lock, etc.).
• wbs contains the name of the macro that runs after each block of the acquisition,
assuming that no other processing is occurring. wbs processing is not done, for
example, if data processing is still going on for a previous sample. In automation mode,
the basic use of wbs processing is for experiments in which it is desired to test the
signal-to-noise ratio periodically in order the stop the experiment at a point when the
desired ratio has been reached (discussed under the descriptions of c13 and testsn
in the VNMR Command and Parameter Reference).
• wnt applies to processing that must be done after each FID of a multi-FID experiment;
therefore, wnt processing is rarely used in automation mode.
• wexp normally specifies a processing macro that performs data processing appropriate
to the particular experiment that has been performed. This processing may include
setting up and starting further experiments, based on the results of the first experiment.
The most important processing to be done on each sample is selected by the wexp
parameter.
If all four of these parameters are set to the null string (wexp=''), no data processing
whatsoever is done, and the experiment is simply acquired and stored. Normally, however,
you will want automatic data processing.
Whenever wbs, wnt, wexp, or werr processing occurs, the acquisition condition that
initiated the processing is available from the parameter acqstatus. Many of the codes
are related to sample changer operation. Refer to the manual Getting Started for more
information about using acquisition codes. The codes are listed in the description of
acqstatus in the VNMR Command and Parameter Reference.
9.11 File Structures in an Automation Run
This section describes the files and directories created in an automation run.
The command enter('abc') creates a directory named abc (referred to as the
automation setup directory). The abc directory contains a file named abc, which lists
experiment information, as follows:
varian> cat /export/home/vnmr1/abc
SAMPLE#:
2
USER:
vnmr1
MACRO:
h1
SOLVENT:
acetone
TEXT:
ethyl-vanillin
USERDIR:
/export/home/vnmr1/vnmrsys
DATA:
STATUS:
Queued
-----------------------------------------SAMPLE#:
1
USER:
vnmr1
MACRO:
c13
SOLVENT:
cdcl3
TEXT:
menthol
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VNMR 6.1C User Guide: Liquids NMR
01-999161-00 B0801