We have an issue with large molecular weight and low resolution. The peaks are average before calculating the gaussian and there is not an obvious way to avoid this problem.
We could add a new property 'resolution' but the important point is not to average masses that are distant of over 0.5 Da. We could average when calling getPeaks and getGaussian will return a correct spectrum without averaging.
We have an issue with large molecular weight and low resolution. The peaks are average before calculating the gaussian and there is not an obvious way to avoid this problem.
We could add a new property 'resolution' but the important point is not to average masses that are distant of over 0.5 Da. We could average when calling
getPeaksandgetGaussianwill return a correct spectrum without averaging.