Generating Constraints from NOE data

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kye stachowski

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Dec 11, 2017, 11:13:03 AM12/11/17
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Hey all,

I am currently working on obtaining distance restraints for a molecule I am working on using NOE data. I have assigned all of the peaks in the spectrum and I am trying build a constraint table. I am currently stuck in the process as nothing happens when I click "Extract Unambiguous" on the NOE peak lists. Since the constraint table is not being populated, I dont think I can bin the distance until I do this.

I have attached a screenshot of eveything, maybe I have something setup incorrectly. 

Your help is appreciated!

Thank you,
Kye Stachowski

Extract Issue.PNG

kye stachowski

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Dec 11, 2017, 1:48:24 PM12/11/17
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I assume that this is why i keep getting this error when I go to use CalcMed for the calibration step in obtaining these restraints. 
error.PNG
error1.PNG
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