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1D NMR peak picking problem with integral #10

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lpatiny opened this issue Jan 11, 2017 · 3 comments
Open

1D NMR peak picking problem with integral #10

lpatiny opened this issue Jan 11, 2017 · 3 comments
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@lpatiny
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lpatiny commented Jan 11, 2017

Currently it is possible to change the integral manually and then the peaks are recalculated. Sometimes however the sum does not correspond ???

Also there is currently no way to save the integral total value so if we just 'save' the sample, the total integral is recalculated to the default value.

I added a field for each nmrSpectrum called 'integralSum'

@stropitek
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The default value is the number of protons derived from the molecular formula?

@lpatiny
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lpatiny commented Jan 12, 2017

Yes it should be the default value.

@andcastillo
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We removed a Math.round in the spectra-data library. It solves the problem. But you have to take into account that if you set "clean=true", then I'll remove all the signals whose integral is lesser than 0.5. But the relative integral of the other peaks should be maintained, which was not the case before.

@stropitek stropitek removed their assignment Sep 14, 2021
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