[CSC 335] Finding TMS based off of baseline

[Andrew J. Pounds]

That last line should have read...

In your case, the location of the baseline comes in as part of the
nmr.in file.

On 10/19/21 8:33 AM, Andrew J. Pounds wrote:
> The "baseline" is will be provided in the input file.  In the handout
> for the project it is called "baseline adjustment".  Generally  after
> an NMR operator completes a spectrum he is presented with the raw data
> on the screen.  The first thing he does is then use the keyboard our
> mouse to place the baseline above the noise prior to the analysis.  In
> your case, the location of the data point comes in as part of the
> nmr.in file.
>
>
>
> On 10/18/21 8:50 PM, wrote:
>> Dr. Pounds,
>>
>> For the project when we're finding the TMS for the dataset from what
>> I understand we are searching for the rightmost "significant" peak
>> which would be the rightmost peak that is greater than the baseline.
>> My question is how we meant are to determine what the baseline should
>> be given a dataset.
>>
>> Thanks,
>>
>>
>
> -- 
> Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
> Professor of Chemistry and Computer Science
> Director of the Computational Science Program
> Mercer University,  Macon, GA 31207   (478) 301-5627
>
> _______________________________________________
> csc335 mailing list
> csc335 at theochem.mercer.edu
> http://theochem.mercer.edu/mailman/listinfo/csc335


-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Director of the Computational Science Program
Mercer University,  Macon, GA 31207   (478) 301-5627

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