RE: Temperature calibration

rnunlist@purcell.cchem.berkeley.edu
Mon, 3 May 1999 09:25:17 -0700 (PDT)

A long time ago I wrote the original program, vtcalc, for generating a
list of shifts vs. temperature.
Two versions are available for download from ftp://bloch.cchem.berkeley.edu

Windows 3.1:
------------

/pub/nmr/mswin: vtcalc.exe and vtcalc.hlp

This program is so ugly, I should charge a lot of money for it...
It worked with win3.1. With w95, it needs resizing to display the
results (with w98 it might quench your magnet ;=).

Tcl/Tk:
-------

/pub/nmr/tcltk: vtcalc

This is a later version, hacked for Tcl/Tk. Not quite as ugly..
Runs under versions Tk 4.x and 8.x on SGI and Linux boxes. It should run
on other systems as well.

The calculated results do agree with nmr measurements.

--Rudi Nunlist

-------------------------------
On 30 Apr, Keith Brown wrote:
=
=
= The solution to the puzzle was to look carefully at the generated
= calibration table from the web page. It doesn't work! The equation given
= on a related page http://bmrl.med.uiuc.edu:8080/mrtools/nmrt_ref.html *is*
= good but its implementation in the generator program isn't. Rather than
= use the generator program I am now using the equation in a spreadsheet.

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Rudi Nunlist Phone: (510) 642-6407 FAX: (510) 642-8369
University of California Email: nmrlab@purcell.cchem.berkeley.edu
College of Chemistry
NMR Facility
Berkeley, CA 94720-1460 Personal email:rnunlist@purcell.cchem.berkeley.edu

www.cchem.berkeley.edu/College/Facilities/nmr
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