fit_float function

Central fitting function with float environment

This function allows to process all samples, especially written for the float environment.

fit_float(all.samples, all.standards, LC.vals, float, ex.smaller = NULL,
  file.output = NULL, best.fits = NULL)

Arguments

• all.samples: List of all samples
• all.standards: List of all standards
• LC.vals: The fitting range values for the linear combination fitting
• float: Let vary the energy range paramerters
• 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

Examples

data(stdmix)
corr.spec.standards  <- initial_load(specdat[1:4], 
  corr.norm = c(-36, -15, 37, 58))
corr.spec.samples    <- initial_load(specdat[5:8], 
  corr.norm = c(-36, -15, 37, 58))
## Select parameters for baseline correction and edge-step normalization
param.float <- expand.grid(pre.adj.1 = seq(-42,-30,6), 
  pre.adj.2 = seq(-19,-9,5), post.adj.1 = seq(35,40,5), 
  post.adj.2 = seq(50,65,5))
length(param.float[,1])
float.fit <- fit_float(all.samples = corr.spec.samples,
  all.standards = corr.spec.standards, 
  LC.vals = c(-14, 46), float = param.float, best.fits = 20)
print(float.fit)

###### Using next configuration can be very time consuming 

param.float.2 <- expand.grid(pre.adj.1 = seq(-43,-30,1), 
  pre.adj.2 = seq(-19,-9,.5), post.adj.1 = seq(34,40,.5), 
  post.adj.2 = seq(50,65,1))