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Hello all,

I have 1H-15N HSQC spectra that contain pairs of partially overlapped crosspeaks for which I need to extract the volumes as accurately as possible. Can anybody recommend a good program for this? Anything would be appreciated - standalone software or a module for software like MATLAB, etc.

Thanks in advance.

asked Sep 11 '12 at 12:28

ChemMJW's gravatar image

ChemMJW
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you might want to look at the program FuDa (http://pound.med.utoronto.ca/~flemming/fuda/) developed by Flemming Hansen in the Kay-lab in Toronto. In case of extensive overlap every program will have difficulties with extracting accurate volumes, but for partial overlapping signals it works pretty well.

link

answered Sep 14 '12 at 08:52

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renee
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Try the NMRPipe utility autoFit.tcl, which works with 2D, pseudo-3D, and 3D data. It uses an NMRDraw peak table and an NMRPipe-format spectrum as input, and produces a refined peak table, a simulated spectrum, and residual.

http://spin.niddk.nih.gov/NMRPipe/install/

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answered Sep 14 '12 at 09:34

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delaglio
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