Hi Y'all,
Is there any chance Walt, that you could post the scripts in the files section
of our new group site. My IT scraps the .pl files and anything else that
looks suspicious.
And it sounds quite useful!
Cheers,
Scott
Scott K. Smith, Director, NMR Core Facility
The University of Texas at Austin | Chemistry | 832-294-1928 |
utexas.edu<
https://www.utexas.edu/>
________________________________
From: main_at_ammrl.groups.io <main_at_ammrl.groups.io> on behalf of Scott Burt <srburt_at_chem.byu.edu>
Sent: Tuesday, August 1, 2023 9:44 AM
To: main_at_ammrl.groups.io <main_at_ammrl.groups.io>
Subject: Re: [AMMRL] Accounting Scripts for OVJ and TS #Bruker #Question #varian #VarianAgilent
David,
Walt gave me the PERL script he uses to process the Icon NMR log. I made
a number of modifications to it (mostly to allow me to charge a per sample fee
and to pull the group membership from the Icon NMR group assignments. See attached.
-Scott
On Fri, Jul 28, 2023 at 9:38 PM Dave Rice <drice2_at_ucmerced.edu<mailto:drice2_at_ucmerced.edu>> wrote:
Hi Scott,
I have written a “Magical” script that organizes the contents
of acctlog.xml into “records”. For me a record is a continuous
stream of events from the same operator - which could be more than one run. I
then charge for the time of a record with a 15 minute minimum or that minimum
between events. I’d be happy to share that with you.
I’d love to learn some more about Topspin. I use a paper log book
for our Bruker 600.
Dave
On Jul 28, 2023, at 3:27 PM, Scott Burt via groups.io <srburt=chem.byu.edu_at_groups.io<mailto:chem.byu.edu_at_groups.io>> wrote:
After 15 years of relative bliss (at least in this specific area),
I will soon be required to charge user fees to recover the operating costs
for our NMR facility. I've spent some time playing around with the built
in accounting options in OpenVnmrJ 3.1 and TopSpin 4.1.4 and I must say that
I'm deeply underwhelmed. That means I need to process the log files directly
to get the data that I'm interested in.
I have successfully done some quick and dirty processing of the log files to
at least get some rough statistics on how sample times per user, start/stop
time distributions, etc. (vnmrsys/Automation/auto*/logfile for OVJ and
/opt/topspin4.1.4/prog/curdir/changer/inmrchanger/*hist for TS) However,
my current approach is messy and too much of a hack for real accounting.
Before embarking on a writing myself a better processing script, I figured
I should check here to see what kind of scripts people have already created
for extracting information from OVJ and TS.
(Details for those interested)
My goal is to generate a CSV file that gives me a list of each sample
submitted, the operator username who submitted the sample, the date and
time that the sample was started, and the total instrument time that the sample
took. My goal is to have a per sample charge and then a flat rate per minute
on top of that (with the typical "off hours" being cheaper than "busy hours").
The primary problems with the built in software are
1) OVJ per sample charge isn't actually a per sample charge. For example,
a sample submitted with a proton, carbon, and COSY will trigger several "go"
charges during the lock and shim stage (it appears to apply a "go" charge
for every iteration of the automated shimming!) and then several go charges
for each of the protocols (i.e., it appears to charge a "go" for the automated
gain setting and then one for the actual acquisition).
2) The TopSpin .csv generation appears to be useless - most of the fields are
blank (no info about individual operators within a group, etc.) The summary
file provides a lot of useful data, but then I would have to convert that
.tmp file into a CSV format. Even then, there doesn't appear to be a way
to have a per sample charge, just a flat rate per time. It also appears
that there is no account taken for the time to lock, tune, shim, etc. (that's
where having a fixed per sample charge would be helpful).
I can't use anything that's tied to a scheduling page or a resource request
page because we don't schedule the instruments (they have auto-samplers).
I want the charges to reflect actual usage vs. incomplete/inaccurate
user-provided data. I guess I should note that all my systems run on RedHat,
so Windows-based scripts aren't directly helpful (although the logic/approach
might be useful).
I'm interested to see what tools people have already come up with.
-Scott
--
Dr. Scott Burt
Professor
NMR Facility Manager
Department of Chemistry and Biochemistry
Brigham Young University
C414 BNSN / C008A BNSN
Provo, Utah 84602-5700
Phone: (801) 422-2404
Fax: (801) 422-0153
chembio.byu.edu/nmr-facility/<
https://chembio.byu.edu/nmr-facility>
email: scott_burt_at_byu.edu<mailto:scott_burt_at_byu.edu>
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