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PCNMR for Windows
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John M. Bemis
University of Wisconsin-Madison, Madison, WI 53706-1396 |
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This issue is out of print. |
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PCNMR for Windows is a program designed for the routine workup of spectral data without tying up an NMR spectrometer console. The program has excellent ease-of-use, suitable both for novice NMR users and experienced users analyzing routine 1D NMR data. This Microsoft Windows version follows from the MS-DOS version of PCNMR by T. C. Farrar at the University of Wisconsin-Madison (1). PCNMR for Windows contains all of the capabilities of the older software with many enhancements, especially in ease-of-use. The layout of PCNMR for Windows was designed specifically to guide novice NMR users easily through the commands needed to produce research quality plots of their data; experienced users will also benefit from the program's ergonomic layout. The user will see a Windows menu bar at the top of the Application window; following the menus from left to right, and subcommands from top to bottom will lead directly to the desired features. All commands are interactively controlled through the mouse. On-line help is provided through a hypertext document available from the main menu.
PCNMR for Windows provides automated Bruker Aspect, Lybrics, and Varian UNITY data translations of 1D time or frequency domain data. Any number of windows, each containing a FID or spectrum, can be open at any time. Exponential and Gaussian apodization functions, as well as zero-filling, can be applied to free induction decay data. Fast Fourier transform of a 32K Bruker Aspect data set typically takes ~ 10 s; other data types transform more quickly. After the data are transformed, phasing, referencing, and expansion of main spectral data can be performed. The phasing routine is especially simple to use, providing real-time 0 and 1st order phase control through vertical mouse movements. The user can generate section expansions of desired spectral regions while specifying the absolute scaling in either hertz or ppm per centimeter. The user can integrate regions of a spectrum with the option to normalize the integrals to a user specified value. The user can then add annotations to the plot in any size or font supported by MS Windows. A threshold can be chosen for automatic peak picking for the frequency identification of peaks. Peak picks can be plotted in tabular form, where additional information is listed, or as frequency tags on peaks plotted directly on the spectrum. Hard copy output can be produced on any output device supported by Windows 3.1. The output can be scaled to standard thesis margins or produced in any reduction the user selects.
Hardware and Software Requirements PCNMR for Windows requires Microsoft Windows version 3.1 or later and associated hardware as defined by Microsoft. We recommend an IBM-PC/AT, PS/2, or compatible computer with a 80386 or higher processor, a minimum of 4 MB of memory, a hard disk, one floppy disk drive to install the software, a two-button mouse, and a Windows-compatible graphics card, such as an IBM VGA or a Super VGA adapter with a compatible color monitor. DOS version 5.0 or later is highly recommended. The program supports printing of spectra on both letter size and larger format paper on any printer supported by Microsoft Windows. A math coprocessor is highly recommended. Literature Cited |
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Last Updated: April 26, 2001 Created: December 3, 1996 |
Created by: J. L. Holmes Comments to: jceonline@chem.wisc.edu |
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| © 1997 Division of Chemical Education, Inc., American Chemical Society. All rights reserved. | |