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Topic: Performance Verification/Performance Qualification of NMR  (Read 3985 times)

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Offline Bidagdha_TADIR

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Performance Verification/Performance Qualification of NMR
« on: January 08, 2016, 06:41:03 AM »
I am trying to find information on Performance Verification (PV) and Calibration of NMR Instruments. I've searched Internet and Google Books. But I've come up empty.

Information is available for PV of UV-Vis spectrophotometer and HPLC but none on NMR.

Is PV not required for NMR? If PV is required, please recommend me some books, journals or any other types of documents on it.

(I'm not sure which sub-forum is best suited for this, but analytical chemistry seems correct, so I posted here).

Offline Arkcon

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Re: Performance Verification/Performance Qualification of NMR
« Reply #1 on: January 08, 2016, 06:52:43 AM »
If you're using an NMR for the same purposes as an HPLC or UV then it certainly needs to be validated to the same standard.  You may find something if you keep looking.  However, you could try to figure it out on your own.  Start with a UV validation an change what you have to to make it fit an NMR.  See what you can come up with.
Hey, I'm not judging.  I just like to shoot straight.  I'm a man of science.

Offline Bidagdha_TADIR

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Re: Performance Verification/Performance Qualification of NMR
« Reply #2 on: January 08, 2016, 09:06:54 AM »
The problem is even if I can figure out the parameters to check, I wouldn't know how to check them. For UV-Vis Spec. Wavelength accuracy, Absorbance accuracy, Stray light, Noise etc. are important. As far as I've gathered, in case of NMR, Referencing spectra (though it seems that it is more related with the sample and standards than the instrument) and checking RF stability are the two parameters. I need to know if there are any other parameters besides this that reflect the performance of the instrument (I am studying for an exam, my teacher focused on automated referencing and its drawbacks. He said for 250-300 MHz instruments, automated referencing is not a good idea).

Offline Babcock_Hall

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Re: Performance Verification/Performance Qualification of NMR
« Reply #3 on: January 08, 2016, 11:02:39 AM »
This is somewhat tangential to your question, but you might look into some of Adam Allerhand's work.  He investigated temperature gradients and other things that can affect line width, for example (doi:10.1016/0022-2364(86)90118-6).  Temperature can also affect chemical shift.

Offline Bidagdha_TADIR

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Re: Performance Verification/Performance Qualification of NMR
« Reply #4 on: January 10, 2016, 05:25:52 PM »
@ Babcock_Hall, this article is useful. Is there any on Magnet stability and RF stability and effect on chemical shift? What I don't understand is why isn't there any guide to verify performance of NMR. I've seen plenty of such guides for UV-Vis spec and few for HPLC by different manufacturers. There is information in the books as well. But there is nothing organized on NMR anywhere.

Does this mean that performance verification is not important for NMR, just proper calibration is suitable to obtain reliable and reproducible data?

Offline Babcock_Hall

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Re: Performance Verification/Performance Qualification of NMR
« Reply #5 on: January 11, 2016, 09:07:19 AM »
We are in an area about which I know very little.  Why not send Dr. Allerhand an email?  I would look into "quantitative NMR" and "NMR validation."  For example:
http://www.sciencedirect.com/science/article/pii/S0165993612000702

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