peakFitter: peakFitter

In mjhelf/Metaboseek: Metaboseek platform

peakFitter

Description

fit a curve into a numeric vector. Will recursively try different starting values for the optimizer.

Usage

peakFitter(
  x,
  y,
  m,
  s,
  startdepth = 1,
  maxdepth = 5,
  best_estimate = 0,
  allowWorseScore = F
)

Arguments

x	numeric vector to use as inout for fit function (typically series of scan numbers or retention time values)
y	numeric vector to fit the curve, same length as x
m	numeric value of the expected/initial position of the peak apex (in range of x)
s	numeric value of the expected/initial peak width. Should not be 0!
startdepth	defaults to 1, part of limiting the recursion
maxdepth	limits recursion to trying to fit curve maxdepth times with increasing s values
best_estimate	Best estimate from previous iterations - argument carries previous results through recursion
allowWorseScore	if FALSE, recursion ends when an iteration has a worse result than the previous one, and will return the best result up to that point

Details

Elements in returned list:

• depth integer indicationg recursion depth

• fit result of using nls() on x with peakFunction(), followed by fitted()

• cor result of calling cor.test() on y and fit

Value

a list, see details

mjhelf/Metaboseek documentation built on April 23, 2022, 12:09 p.m.