fit_LCF {SOMnmR}

Porting for linear combination fitting

Description

The function can be used to check which combinations of standards produce a good fit.

Usage

fit_LCF(
  all.samples,
  all.standards,
  ecosys = NULL,
  amoSTD,
  ex.smaller = NULL,
  file.output = NULL,
  best.fits = NULL,
  NMRmeth,
  FixNC
)

Arguments

all.samples

List of all samples

all.standards

List of all standards

ecosys

Standards to be used for the MMM, can be Terrestrial("Terr_Nelson" or "Terr_Baldock") or Aquatic ("Aqua_Nelson" or "Aqua_Baldock")

amoSTD

Use at most X standards

ex.smaller

Exclude portions smaller than a given value (decimal form), default to NULL

file.output

Possibility to have a file output, default to NULL

best.fits

Possibility to output more than the best fit (e.g. the first 10 best fits), default to 1

NMRmeth

Regions to be integrated, methods available include: "4region", "Bonanomi", "Smernik" and Molecular mixing model ("MMM").

FixNC

TRUE or FALSE, for fixing or not the NC ratio on the sample fitting.

Value

A dataframe containing the result of the fitting exercise for all files.