RE: AMMRL: user programmable macro languages for Jeol and Bruker
strllib@aim.com
Tue, 26 Feb 2008 06:58:35 -0500
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Dear AMMRL:
I have written macros on my Varian NMRs for quite a while using Varian's Magical II Programming language.? The majority of my macros are to process quantitative NMR data and then print the spectrum and the results (percent by weight of compound at different integrals).? Because of the repetitive nature of my work (same compounds but in varying amounts and with a variety of other compounds present on large numbers of samples), macros have saved us a great deal of time and made NMR easier to use for quantitation than GC or LC in many instances.
I have no experience with other NMR manufacturers and was wondering if Jeol and Bruker have a simple programming language like Varian's Magical that can automatically process data to the user's specifications or is? it necessary to use a third party program?? What is the name of the language??
If we purchased an NMR other than Varian would we (not the vendor) be able to write the macros necessary for our work?? Has anyone done this (moved macros from Varian to another vendor)?? Below I give 2 examples of the type of macros I mean.
Thank you for your help,
Patrick Hays
Example 1:? I want to process an FID to normalize the peak width of a reference peak like TSP or TMS to 3 Hz? with the following steps:
zero fill FID
Fourier transform
phase spectrum
baseline correct
find largest peak near 0 ppm
measure peak's width at half height
perform a loop that increments linebroadening and repeats the above steps until the 0 ppm peak width is between 2.999 and 3.000 Hz
measure all peak positions and heights
Example 2:? zero fill, transform, phase, baseline correct then locate and integrate specific peaks (internal standard peak and then compound peak groups) with integral starting and stopping 25 Hz on the sides of the peak or peak group.? The integral values are loaded into variables and plugged into the quantitation equation.? The spectrum is printed from 0-10 ppm, vertical scaling such that tallest compound (not solvent) peak is near the top of the page and calculation results printed.
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Dear AMMRL:
I have written macros on my Varian NMRs for quite a while using Varian's Magical II Programming language. The majority of my macros are to process quantitative NMR data and then print the spectrum and the results (percent by weight of compound at different integrals). Because of the repetitive nature of my work (same compounds but in varying amounts and with a variety of other compounds present on large numbers of samples), macros have saved us a great deal of time and made NMR easier to use for quantitation than GC or LC in many instances.
I have no experience with other NMR manufacturers and was wondering if Jeol and Bruker have a simple programming language like Varian's Magical that can automatically process data to the user's specifications or is it necessary to use a third party program? What is the name of the language?
If we purchased an NMR other than Varian would we (not the vendor) be able to write the macros necessary for our work? Has anyone done this (moved macros from Varian to another vendor)? Below I give 2 examples of the type of macros I mean.
Thank you for your help,
Patrick Hays
Example 1: I want to process an FID to normalize the peak width of a reference peak like TSP or TMS to 3 Hz with the following steps:
zero fill FID
Fourier transform
phase spectrum
baseline correct
find largest peak near 0 ppm
measure peak's width at half height
perform a loop that increments linebroadening and repeats the above steps until the 0 ppm peak width is between 2.999 and 3.000 Hz
measure all peak positions and heights
Example 2: zero fill, transform, phase, baseline correct then locate and integrate specific peaks (internal standard peak and then compound peak groups) with integral starting and stopping 25 Hz on the sides of the peak or peak group. The integral values are loaded into variables and plugged into the quantitation equation. The spectrum is printed from 0-10 ppm, vertical scaling such that tallest compound (not solvent) peak is near the top of the page and calculation results printed.
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