runSynthesisAnalysis: run synthesis analysis.

Description

run synthesis analysis.

Usage

runSynthesisAnalysis(
  fadata,
  toDo,
  R2Thr = R2Thr,
  maxiter = maxiter,
  maxconvergence = maxconvergence,
  D1 = D1,
  D2 = D2,
  P = P,
  startpoints = startpoints,
  parameters = FAMetA::parameters,
  verbose = TRUE
)

Value

De novo-synthesis analysis results.

Arguments

fadata: fadata containing synthesis results.
toDo: fatty acids to analyse.
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.
D1: positive numeric vector with values between 0 and 1 specifying the contribution of acetate M+1. If NA it is estimated.
D2: positive numeric vector with values between 0 and 1 specifying the contribution of acetate M+2. If NA it is estimated.
P: overdispersion parameter. If NA it is estimated (quasi-multinomial distribution). If set to 0, no overdispersion is assumed (multinomial distribution).
startpoints: positive integer specifying the number of starting points for each parameter to be estimated.
parameters: parameters to be estimated for each fatty acid. It can be modified to change them or to add new fatty acids (adding new rows).
verbose: print information messages.

Author

M Isabel Alcoriza-Balaguer <maribel_alcoriza@iislafe.es>