MALDIcellassay0.4.47 package

Calculate Chauvenet's criterion for outlier detection

Calculate the fit for a dose-response curve

Calculate peak statistics

Calculate strictly standardized mean difference (SSMD)

Calculate V'-Factor

Calculate Z'-factor of assay quality

Check the recalibration of spectra from a MALDIassay object

Extract intensity using peaks as template

Extract the spot coordinates

Filter for high variance signals

Fit dose-response curves

Get all mz value of an MALDIassay-object

Extract applied mz-shift

Extract applied normalization factors

Extract peaks of average spectra

Extract average spectra

Get binning tolerance

Extract the concentrations used in a MALDIassay

Extract curve fits

Extract directory path

Get fitting parameters

Get the intensity matrix of single spectra for all fitted curves

Get the mz value associated with a mzIdx

Get mass shift for target mz

Get normalization factors from peak data.frame

Extract normalization method

Extract m/z used for normalization

Extract tolerance used for normalization

Extract peak statistics

Calculate remaining calibration error of a MALDIassay object

Extract peaks of single spectra spectra (before average calculation)

Extract the intensities of single spectra for a given mzIdx

Extract SNR used for peak detection

Get the spot coordinates of spectra

Extract variance filtering method

Check if object if of class MALDIassay

load bruker MALDI target plate spectra

load mzML spectra

Class MALDIassay

Normalize spectra and peaks

Apply normalization factors to spectra

Convert a list of peaks to a data.frame

generate ggplot objects for each of the curve fits in a MALDIassay obj...

Plot a peak of interest from a MALDIassay object

Compute standard-deviation spectra

Shift mass axis

Convert concentration to log10 and replace zero's