Extract 1D slices from 2D spectrum and overlay 1D slices

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Gonzalo Pérez Mejías

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Jul 25, 2022, 8:46:11 AM7/25/22
to NMR POKY/SPARKY USER GROUP
Hello,
I am trying to extract 1D slices from several peaks of 2D spectra. I've been using the POKY script to "Plot a 1D slice from a selected peak". Hovewer, I am not able to export the data corresponding to the 1D slice in txt format so I can plot the 1D slices of several peaks from different 2D spectra. 
I have also tried to show the slices with vS command and then try to generate a .ps file with "print". Hovewer, when I move the cursor to click "Save" the selected peak slice moves and I am not able to save the proper 1D slice for that peak.

Lee, Woonghee

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Jul 25, 2022, 9:21:40 AM7/25/22
to Gonzalo Pérez Mejías, NMR POKY/SPARKY USER GROUP

Dear Gonzalo,

 

Please use this script:

https://github.com/pokynmr/POKY/blob/master/User_Modules/plot_multiple_1d_script.py

 

Paste into Poky Notepad and run it.

 

You can hold your shift key when selecting next peak not to lose current selection. By that way you can select multiple peaks. If you wish to add gaps between peaks, you can modify line 10 “intensity_gap” to have the gap value between peaks.

 

Best,

Woonghee Lee, I.E.I.P., M.S., Ph.D.

 

Assistant Professor

Department of Chemistry

University of Colorado Denver

1151 Arapahoe St. (Science Bldg.) Rm 4128A

Denver, CO 80217-3364, USA

Office: +1-303-315-7672

woongh...@ucdenver.edu

 

https://poky.clas.ucdenver.edu

https://poky.clas.ucdenver.edu/wlee-group

https://clas.ucdenver.edu/chemistry/woonghee-lee

 

Shipping/Mailing Address:

Woonghee Lee

1201 5th St. UCD CHEM-194

P.O. Box 173364 (USPS)

Denver, CO 80204, USA

 

 

From: <nmr-s...@googlegroups.com> on behalf of Gonzalo Pérez Mejías <gonp...@gmail.com>
Date: Monday, July 25, 2022 at 6:46 AM
To: NMR POKY/SPARKY USER GROUP <nmr-s...@googlegroups.com>
Subject: [NMR POKY/SPARKY] Extract 1D slices from 2D spectrum and overlay 1D slices

 

[External Email - Use Caution]Hello,

I am trying to extract 1D slices from several peaks of 2D spectra. I've been using the POKY script to "Plot a 1D slice from a selected peak". Hovewer, I am not able to export the data corresponding to the 1D slice in txt format so I can plot the 1D slices of several peaks from different 2D spectra. 

I have also tried to show the slices with vS command and then try to generate a .ps file with "print". Hovewer, when I move the cursor to click "Save" the selected peak slice moves and I am not able to save the proper 1D slice for that peak.

 

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