Question on recent alterations of peak picking.

[inesboxexa]

Hi Alan,

I got the error below:

Error using SpectralPeakDetection/process Too many input arguments.

Error in f_saving_peaks_details (line 24) [ ~, ~, peakDetails ] = peakPicking.process(totalSpectrum_mzvalues, totalSpectrum_intensities); % peak pick total spectrum

Could you help?

Thanks, Teresa

[AlanRace]

Hi Teresa, The new process function takes a SpectralData instance and returns an array of Peak instances.

You should be able to change your line to:

peaks = peakPicking.process(SpectralData(totalSpectrum_mzvalues, totalSpectrum_intensities));

The peaks array then has fields for the peak centroid, min and max spectral channels etc. You can get these as a vector for example:

centroids = [peaks.centroid];

Hope that helps!

Alan

[inesboxexa]

Hi Alan,

Thank you very much, issue solved!

Teresa

From: Alan Race notifications@github.com Sent: 01 August 2020 09:49 To: AlanRace/SpectralAnalysis SpectralAnalysis@noreply.github.com Cc: Teresa Murta teresa.murta@npl.co.uk; Author author@noreply.github.com Subject: [EXTERNAL] Re: [AlanRace/SpectralAnalysis] Question on recent alterations of peak picking. (#31)

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Hi Teresa, The new process function takes a SpectralData instance and returns an array of Peak instances.

You should be able to change your line to:

peaks = peakPicking.process(SpectralData(totalSpectrum_mzvalues, totalSpectrum_intensities));

The peaks array then has fields for the peak centroid, min and max spectral channels etc. You can get these as a vector for example:

centroids = [peaks.centroid];

Hope that helps!

Alan

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