- Type: URI Objectin [mzML]Input peak file [mzML]
- Type: URI Objectrscript_executable []Path to the Rscript executable (default: 'Rscript'). [,opt.]
- Type: URI Objectid_in [idXML,featureXML]Identifications or features whose peptide ID's serve as calibration masses. [idXML,featureXML,opt.]
- Type: URI Objectlock_in [csv]Input file containing reference m/z values (text file with each line as: m/z ms-level charge) which occur in all scans. [csv,opt.]
Node / Manipulator
InternalCalibration
Node details
Input ports
Output ports
- Type: URI Objectout [mzML]Output file [mzML]
- Type: URI Objectlock_out [mzML]Optional output file containing peaks from 'in' which were matched to reference m/z values. Useful to see which peaks were used for calibration. [mzML]
- Type: URI Objectlock_fail_out [mzML]Optional output file containing lock masses which were NOT found or accepted(!) in data from 'in'. Useful to see which peaks were used for calibration. [mzML]
- Type: URI Objectmodels [csv]Table of model parameters for each spectrum. [csv]
- Type: URI Objectmodels_plot [png]Plot image of model parameters for each spectrum. [png]
- Type: URI Objectresiduals [csv]Table of pre- and post calibration errors. [csv]
- Type: URI Objectresiduals_plot [png]Plot image of pre- and post calibration errors. [png]
Extension
The InternalCalibration node is part of this extension:
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Related workflows & nodes
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