extract 2d sliced from 3D data to process in MNova

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romania...@gmail.com

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Feb 9, 2021, 6:41:08 PM2/9/21
to NMR POKY/SPARKY USER GROUP
Hello, I was wondering if it it possible to pull a slice from sparky file and convert it to a format that can be opened in MNova? Something like JCAMP file format?

A secondary question is whether there is any way to pull a 1D slice from a 2D? I use the vS display to show the slices as I mouse over them, but is there anyway to actually extract either the raw fid or ft data from here?

Best,
David O.

Lee, Woonghee

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Feb 9, 2021, 6:52:24 PM2/9/21
to romania...@gmail.com, NMR POKY/SPARKY USER GROUP

Dear David,

 

To your first question,

You can use easy_ucsfdata GUI or ucsfdata CLI to pull a slice. That will generate a bunch of 2D ucsf files.  

You can go back to -wN parameter and find the “index” that gives your preferred ppm slice.

 

I have no idea about MNova and JCamp if they can import the ucsf file. However, Poky (next week release) can generate pipe file from ucsf, and if they support pipe, you are lucky.

 

To your second question,

 

You probably want something like this.

Poky can do that. Please wait a week. Thank you for your patience.

 

Woonghee

 

 

--

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

woongh...@ucdenver.edu

https://sites.google.com/view/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

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romania...@gmail.com

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Feb 23, 2021, 7:48:31 PM2/23/21
to NMR POKY/SPARKY USER GROUP
Thank you so much for the prompt reply Woonghee and apologies for the late response. I look forward to using Poky and thanks for the info about converting to pipe format.

Best,
David O.

Lee, Woonghee

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Feb 23, 2021, 8:02:01 PM2/23/21
to romania...@gmail.com, NMR POKY/SPARKY USER GROUP

Dear David,

 

Poky is available now from https://poky.clas.ucdenver.edu

 

Best,

Woonghee

 

--

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

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

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