I have 2D HSQC dept spectrum with positive(blue) and negative(red) signals, I want to make all signals positive and to save the received spectra.
How to make it? is it possible to do this with topspin? I need to use the already recorded 30 spectra (thank you in advance)
POKY (https://poky.clas.ucdenver.edu) can do that.
1. Drag'n drop 2rr file into the POKY main window.
2. Open Poky Notepad (File -> Poky Notepad... or type Pn).
3. Put this script (https://raw.githubusercontent.com/pokynmr/POKY/master/User_Modules/absolute_data_height_script.py) into the Poky Notepad window.
4. Run (File -> Run Python Module or type Ctrl/Cmd + b).
Thank you very much Woonghee Lee, I'll try to do it. After that, there will be no conflicts with other software? These spectra will then need to be processed in MatLab?
Why do you need MatLab? Peak picking, fitting volume measuring, etc etc can be all done in there.
I'm trying MatLab to identify mixtures. Using fragment correlations between many spectra.
In other 2D techniques the way to do it is to process the raw data in magnitude mode (rather than phase sensitive). Not sure if this works for HSQC.
Ilya Grishanovich I developed the Interactive HSQCcos script. https://github.com/pokynmr/POKY/blob/master/User_Modules/interactive_hsqccos_script.py
1. Select one peak to search correlated peaks.
2. In the POKY Notepad, CTRL/CMD + b while you have the script above.
3. Select spectra to analyze, and specify R cutoff.
4. Specify the name to call those peaks with high correlation.
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