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 NMR Tools -- txt XY data problem
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kpnk

1 Posts

Posted - 10/13/2016 :  07:31:52 AM  Show Profile  Edit Topic  Reply with Quote  View user's IP address  Delete Topic
Origin Ver. and Service Release (Select Help-->About Origin): Origin Pro 2016 and b9.3.226
Operating System: Win 7

Hi! I use NMR Tools with Origin. The problem is, that I have to handle the spectrum of 1D NMR, that is given to me in txt file in a way:

Number of points (Real) = 32768
Spectral Width (Hz) = 5592.84131
Spectrometer Frequency (MHz) = 400.13004
Lowest Frequency (Hz) = -823.98767
Digital Filter (points) = 0.000
__________________________________________
11.91826 6697.00000
11.91783 5584.00000
11.91741 6175.00000
11.91698 3013.00000
... ...

In order to be able to process this data I just copy it to a new worksheet and use the option "Convert to NMR" -- "All real". I am sure, that in the first column are ppm values. Then I get a plot, that goes from 11.91826 to -11.91826 and is reversed.

I open "Plot details" from "NMR control" panel and set there all the options from the header of my txt file (I don't know about the amount of points - I guess, the one from the header is better than the actual one). At the same panel I have a "ppm" setting chosen.

However, this doesn't lead to a normal representation (e.g. from 0 to 11.91826 ppm in any direction), instead I get a message "Data will be lost" and my ppm axis starts to show something of the order of 10^8.

Would you, please, tell me, what am I doing wrong?

snowli

USA
1379 Posts

Posted - 10/14/2016 :  3:11:30 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Hello,

This tool was made by our customer and he had since passed away and we may not know all codes behind it.

You can email what data you used and detailed steps of what you did and what went wrong so we can try to reproduce and see if it's an Origin problem or not. If it's his code related, we may not be able to fix it.

Thanks, Snow
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