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Loading the ASCII data like .txt,.asc or .csv, related to simulated EPR spectrum from different sources like "EasySpin" (Matlab), "Xenon" (EPR spectrometer), "SimFonia" (WinEPR system) or "csv" (comma separated values, universal format or MS Excel). Finally, they are automatically converted into data frames by the fread.

Usage

readEPR_Sim_Spec(
  path_to_ASC,
  B.unit = "G",
  Intensity.sim = "dIeprSim_over_dB",
  sim.origin = "easyspin"
)

Arguments

path_to_ASC

Character string, path to ASCII file/table with simulated spectral data (\(Intensity\,\,vs\,\,B\)(Field) obtained from various sources. Path can be alternatively defined by the file.path function.

B.unit

Character string, pointing to unit of magnetic flux density coming from the original data which is to be presented on the \(B\)-axis of an EPR spectrum, like "G" ("Gauss"), "mT" ("millitesla"). Default: B.unit = "G".

Intensity.sim

Character string, pointing to intensity data frame column name, corresponding to simulated EPR spectrum. If used together with the quantification of radicals, this argument must be equal to that of the quantify_EPR_Sim_series.

sim.origin

Character string, referring to the "origin" of a simulated spectrum ASCII data. There are four possibilities \(\Rightarrow\) sim.orimgin = "easyspin" (default), "xenon", "simfonia" as well as universal "csv".

Value

Data frame, consisting of magnetic flux density (Bsim_mT or Bsim_G) and intensity variable/column (depending on the Intensity.sim argument), corresponding to simulated EPR spectrum.

Examples

if (FALSE) { # \dontrun{
readEPR_Sim_Spec(path_to_ASC =
                  "./Simulations/TEMPO_simulation.txt",
                 sim.origin = "xenon")
#
readEPR_Sim_Spec("Cu_complex_simulation.txt",
                 B.unit = "mT",
                 sim.origin = "easyspin")
} # }