RE: AMMRL: Agilent/Varian NMR

From: Hirschinger, Jerry D <jerryh56_at_purdue.edu>
Date: Mon, 20 Oct 2014 18:23:20 +0000

I'm not that familiar with the pulse programming and macro languages, but in general it is not efficient to try and translate from one manufacturer to another without both's prior adherence to a common standard. I suggest that complex macros be back-designed into their basic block diagrams, then reprogrammed in whatever language succeeds the original. This might save a great deal of hassle over direct translation attempts.
Cheers, -Hirsch
Jerry Hirschinger, NMR Instrumentation Specialist
Purdue Interdepartmental NMR Facility
560 Oval Dr. West Lafayette, IN 47907-2084
Office: Wetherill 365A
Phone / Fax: (765) 494-5288 / 494-0239
Cellular: (765) 427-3034



From: Grace, David (GE Healthcare) [mailto:David.Grace_at_ge.com]
Sent: Monday, October 20, 2014 1:49 AM
To: ammrl_at_ammrl.org
Subject: RE: AMMRL: Agilent/Varian NMR

Dear all
We seem to be in an almost identical situation so very interested. We have many macros in Magical in particular macros which test S/N at each block and then either continue acquisition or abort and store data. I have tried to get hold of a Jeol manual describing their macro language and programming but without luck so far. I also would like to know about Jeol's pulse-sequence programming procedures.
Regards
David

David S. B. Grace
Senior Scientist
Life Sciences
GE Healthcare

T +47 23185006
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david.grace_at_ge.com<mailto:david.grace_at_ge.com>

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From: strllib_at_aol.com<mailto:strllib_at_aol.com> [mailto:strllib_at_aol.com]
Sent: 17. oktober 2014 16:08
To: ammrl_at_ammrl.org<mailto:ammrl_at_ammrl.org>
Subject: AMMRL: Agilent/Varian NMR


Dear AMMRL:

Since it looks like our agency will have to purchase either a Bruker or Jeol NMR in the upcoming years I have some critical questions about how to make the transition from Agilent less painful.

1. We have for the past 20+ years used our own macro programs, written in Agilent/Varian Magical II programming language, to perform fully automated quantitative NMR analyses and library searches at all our laboratories. We have a macro that makes QNMR macros specific for a drug-solvent-internal standard combination. Has anyone ever taken an Agilent macro and converted it to the Bruker or Jeol macro language? If yes, what does the conversion entail?

2. The macros we have do quite a lot of things from phasing, baseline correction, finding peaks, etc. Can Bruker and Jeol programming do the below tasks from a User created macro?

            a. A loop routine that does a Fourier transform on the proton FID, baseline corrects the spectrum, measures a specified peak's width at 25%, 50%, and 75% of the height, calculates the Gaussian and Line Broadening function values to get specific widths at those heights, then reprocesses with these values to see if the peak's widths are achieved. If it needs to it recalculates them and tries again.

            b. A program that measures the heights and widths of all peaks in a spectrum and saves these values in arrayed variables.

3. What other options (other than the NMR vendors) do we have for customized processing? Has anyone created processing programs that are run within a third party NMR processing program (e.g., ACD, Mestrelab, etc.)?

Thank you for your help. Still in shock.

Best regards,

Patrick Hays
Senior Research Chemist
DEA Special Testing and Research Laboratory
Dulles, Virginia
Received on Mon Oct 20 2014 - 08:23:23 MST

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