attachList | Attaching one list at the end of another |
calcPPS | Calculation of a peak picking score (PPS) by using natural,... |
calculateXcmsSet | Calculation of an xcmsSet-Object |
combineParams | Combining two lists of parameters together. |
createModel | Creating a response surface model. |
decode | En-/decodes values to/from ranges of -1 to 1. |
findIsotopes.CAMERA | Identification of Isotopes using the package CAMERA. |
findIsotopes.IPO | Identification of 13C isotopes |
getBbdParameter | Creates a Box-Behnken Design of experiment |
getCcdParameter | Creates a Central-Composite Design of experiment |
getDefaultRetCorCenterSample | Gets the index of the sample with most peaks in it. |
getDefaultRetGroupStartingParams | Gives a List of parameters for xcms-methods retcor.obiwarp or... |
getDefaultXcmsSetStartingParams | Creates a List of parameters for xcms-methods... |
getNormalizedResponse | It combines Retention time Correction Scores (RCS) and... |
getRGTVValues | Calculation of values used for a Retention time correction... |
IPO-package | Automated Optimization of Untargeted Metabolomics LC-MS Data... |
optimizeRetGroup | Optimization for parameters for retention time correction and... |
optimizeXcmsSet | Optimisation of peak picking parameters by using natural,... |
toMatrix | Converts an array into a matrix |
typeCastParams | Splits parameters into those which should be optimized and... |
writeParamsTable | Writes XCMS settings to a file. |
writeRScript | Prints an R-script to the screen which can be used for xcms... |
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