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Titration Peaklist

Author shubhadra

#1 | Posted: 22 Jun 2017 22:04 

Is there a way to generate a peaklist for a set of titration data, without having to move the cross-hair manually to the centre of the peak. Right now, Im generating peaklist in Monoscope, and I move each cross-hair manually to the centre of the peak using the peak model as a guide for the best peak height. Can it be done in automatic mode?

Author damberger

#2 | Posted: 19 Mar 2019 01:37 
There is no automatic means to do it. However, there is a way to extrapolate from positions in two spectra to a third one once you have done this for all peaks at two titration points. This places the signals closer to their actual location making adjustment for efficient and can be repeated for each additional titration point using the last two spectra.
Use the script:


It requires the definition of the Attribute "Temp" for the source spectra and a TargetTemp. See the header of the script for details. Ofcourse, Temp could be a different variable than the temperature like the molar ratio of a ligand.

After defining Shift aliases in the series of spectra in HomoScope or PolyScope the titration data can be written out as a table using the script:


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