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>> I am new to CCPN and I am trying to find a way to calculate accurately the line widths and volumes. I am trying to use the Peak separator function (is this the best way in CCPN?)  but I would like know if there is a way to determine the accuracy of the final fit. 

> The analytical method peak finder will not be able to cope with over-lapping or merged peaks - and so this is where the peak separator becomes useful. Originally the peak separator code would calculate a (say 95% confidence) value for number of peaks in a region, and each peaks height, width, position and volume, but this has been replaced with a maximum likelihood fit (rendering probabilistic errors useless). However, it will still deconvolve merged peaks and calculate the individual component peaks height, position, width and volume.


I forgot to mention! The choice of model peak shape can seriously affect the quality of your results here - Gaussian shapes are good for apodised FIDs whilst Lorentzian shapes tend to be associated with 'pure' exponentially decaying sinusoids (like an FID with no apodisation). It would be trivial to add other peak shapes - if you have any ideas then just say!

Dan

Daniel O'Donovan
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