Error HCCH-TOCSY Format

[Gabriele Coluccino]

Dear Woonghee,

I am trying to run I-PINE, but I keep getting the following message

"%Error: H(C)H-TOCSY is not in correct format"

However, it seems to me that it is in the same exact format as the other input files (the analysis works fine if I use just those ones). Do you have any idea on what could be the problem? 

Attached, you can find the TOCSY input.

Thanks

Gabriele 

[Lee, Woonghee]

Dear Gabriele,

 

Check your peaks. There are peaks like,

 

            ?-?-?      4.568      1.696      4.618      1498484

 

They should be cleaned up.

 

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

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 5^th St. UCD CHEM-194

P.O. Box 173364 (USPS)

Denver, CO 80204, USA

 

 

From: <pinenmr-u...@googlegroups.com> on behalf of Gabriele Coluccino <davidf...@gmail.com>
Date: Tuesday, April 19, 2022 at 4:39 AM
To: I-PINE/PINE and ssPINE user group <pinenmr-u...@googlegroups.com>
Subject: Error HCCH-TOCSY Format

 

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[Gabriele Coluccino]

Dear  Woonghee, 

I have cleaned up the peak list, as suggested. I have also removed the negative ones. However, I am still getting the same error message. 

What else can I do?

Best, 

Gabriele 

[Lee, Woonghee]

Gabriele,

 

Still that is the error from your peaks. For H(C)CH-TOCSY, average H, C ppms must fall in 0-5 and 20-70 ranges respectively. And the error you see is when it does not meet these criteria.

 

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 (office), Rm 4128 (dry lab), Rm 4133 (wet lab)

To view this discussion on the web visit https://groups.google.com/d/msgid/pinenmr-user-group/9923a949-ba4a-440e-9a60-d7016f6681a5n%40googlegroups.com.