runElongationAnalysis: run the elongation analysis.

In FAMetA: Fatty Acid Metabolic Analysis

run the elongation analysis.

Description

run the elongation analysis.

Usage

runElongationAnalysis(
  fa,
  M,
  D1,
  D2,
  P,
  S16,
  E1,
  E2,
  E3,
  E4,
  E5,
  R2Thr = 0.9,
  maxiter = 10000,
  maxconvergence = 100,
  startpoints = 5,
  D2Thr = D2Thr
)

Arguments

fa	data frame with isotope intensities for a FA. First two columns correspond to Compound and Label information.
M	total number of carbons for the FA.
D1	positive numeric between 0 and 1 specifying the contribution of acetate M+1. Estimated with synthesisAnalysis.
D2	positive numeric between 0 and 1 specifying the contribution of acetate M+2. Estimated with synthesisAnalysis.
P	overdispersion parameter. Estimated with synthesisAnalysis.
S16	fraction of newly synthesized C16 FA. If NA it is estimated. It is set to 0 for n3 and n6 FA series.
E1	fraction of elongated C18 FA from C16. If NA it is estimated. It is set to 0 for n3 and n6 FA series.
E2	fraction of elongated C20 FA from C18. If NA it is estimated.
E3	fraction of elongated C22 FA from C20. If NA it is estimated.
E4	fraction of elongated C24 FA from C22. If NA it is estimated.
E5	fraction of elongated C26 FA from C24. If NA it is estimated.
R2Thr	positive numeric between 0 and 1 specifying the minimum R2 allowed for fits.
maxiter	parameter passed to nls.control. Positive integer specifying the maximum number of iterations allowed.
maxconvergence	positive integer specifying the maximum number of successes before choosing the winning model.
startpoints	positive integer specifying the number of starting points for each parameter to be estimated.
D2Thr	minimum D2 value allowed to perform the elongation analysis.

Value

Elongation and importation analysis results.

Author(s)

M Isabel Alcoriza-Balaguer <[e-mail]>

FAMetA documentation built on Jan. 11, 2023, 5:18 p.m.