Non-linear Retention Time Alignment

Hello all, I am trying to do non-linear retention time alignment of LC-MS spectra using the bioinformatics toolbox and I'm having a very difficult time..

It seems like the function I need to use is samplealign, but it required a matrix of data, when I have a cell array of peak lists. If I convert the cell array of peak lists to a matrix (using msppresample for instance), I lose resolution, unless set N to something ridiculous, in which case the matrix is mostly zeros and samplealign errors. I'm not sure what to do...

[Ingrid Tigges]

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