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.
See also
Other Data Reading:
readEPR_Exp_Specs()
,
readEPR_Exp_Specs_kin()
,
readEPR_Exp_Specs_multif()
,
readEPR_param_slct()
,
readEPR_params_slct_kin()
,
readEPR_params_slct_quant()
,
readEPR_params_slct_sim()
,
readEPR_params_tabs()
,
readEPR_solvent_props()
,
readMAT_params_file()