Read Selected EPR Instrumental Parameters and Information

Taking selected instrumental parameters or information from the .DSC/.dsc or .par file of an EPR spectrum (written by the Xenon/Magnettech or WinEpr software, respectively).

Usage

readEPR_param_slct(path_to_dsc_par, string, origin = "xenon")

Arguments

path_to_dsc_par

Character string, path to .DSC/.dsc or .par file including the instrumental parameters provided by the EPR machine. File path can be also defined by the file.path function.

string

Character (vector) string (appeared at the line beginning) within the .DSC/.dsc or .par file corresponding to instrumental parameter or information. Following strings are defined for all three main acquisition softwares described-above (in parenthesis for the "winepr" origin):

String	Instrumental Parameter
"OPER" ("JON")	operator (of the EPR instrument)
"CMNT" ("JCO")	comment (in order to describe the measurement)
"DATE" ("JDA")	date (when the EPR spectrum was recorded)
"TIME" ("JTM")	time (when the EPR spectrum was recorded)
"SAMP"	name/decsript. of the sample, not available in "magnettech" .dsc
"B0MF"	modulation frequency in Hz
"MWFQ" ("MF")	microwave frequency in Hz (GHz)
"QValue"	recorded quality-Factor (required for intensity normalization) unitless
"A1CT" ("HCF")	central field (B) in T (G)
"A1SW" ("HSW")	sweep width in T (G)
"STMP" ("TE")	temperature in K
"B0MA" ("RMA")	modulation amplitude in T (G)
"AVGS" ("JSD")	number of accumulations for each spectrum
"A1RS" ("RES")	number of points/resolution
"MWPW" ("MP")	microwave power in W (mW)
"SPTP" ("RCT")	conversion time in s (ms)
"RCTC" ("RTC")	time constant in s (ms), not available in "magnettech" .dsc
"RCAG" ("RRG")	signal receiver gain in dB (unitless), not available in "magnettech" .dsc
"ConvFact"	conversion factor/instr. calibration constant for quantitative analysis unitless, not available in "magnettech" .dsc

origin

Character string, corresponding to software used to acquire EPR spectra. The files are slightly different depending on whether they were recorded by the "WinEpr",origin = "winepr", "Xenon" (default: origin = "xenon") or by the "Magnettech" (ESR5000 [11-0422], origin = "magnettech").

Value

Numeric or character string (e.g. date or comment), corresponding to selected instrumental parameter(s) applied to record the EPR spectra. In case of string character vector, named list, containing either character and/or numeric values, is returned with the names corresponding to string.

See also

Other Data Reading: readEPR_Exp_Specs(), readEPR_Exp_Specs_kin(), readEPR_Exp_Specs_multif(), readEPR_Sim_Spec(), readEPR_params_slct_kin(), readEPR_params_slct_quant(), readEPR_params_slct_sim(), readEPR_params_tabs(), readEPR_solvent_props(), readMAT_params_file()

Examples

## loading `.DSC` (`Xenon`) parameter file example
triaryl_radCat_dsc_path <-
  load_data_example(file = "Triarylamine_radCat_decay_a.DSC")
#
## reading modulation amplitude (in T) from the `Xenon` spectrometer file
readEPR_param_slct(triaryl_radCat_dsc_path,string = "B0MA")
#> [1] 7.2e-05
#
## reading Q-Value from the `Xenon` spectrometer file
readEPR_param_slct(triaryl_radCat_dsc_path,string = "QValue")
#> [1] 1700
#
## reading `CMNT` (comment) and `MWFQ` (microwave frequency in Hz)
## from the `Xenon` spectrometer file
readEPR_param_slct(triaryl_radCat_dsc_path,
                   string = c("CMNT","MWFQ"))
#> $CMNT
#> [1] ""
#> 
#> $MWFQ
#> [1] 9792281000
#> 
#
## loading `.par` (`WinEPR`) parameter file example
TMPD_radCat_par_path <-
  load_data_example(file = "TMPD_specelchem_accu_b.par")
#
## reading `JDA` (date) from `WinEPR` spectrometer file
readEPR_param_slct(TMPD_radCat_par_path,
                   string = "JDA",
                   origin = "winepr")
#> [1] "08/01/2011"
#
## reading `RMA` (modulation amplitude in G) and `TE`
## (temperature in K) as well as `JCO` (comment)
## from `WinEPR` spectrometer file
readEPR_param_slct(TMPD_radCat_par_path,
                   string = c("RMA","TE","JCO"),
                   origin = "WinEPR")
#> $RMA
#> [1] 0.5
#> 
#> $TE
#> [1] 295.06834
#> 
#> $JCO
#> [1] "Q=3500, 1mM solut. tetramethyl phenylene diamine, accu 20 spectra"
#> 
#
## loading and reading the `.DSC` file from `Xenon`
## corresponding to phenalenyl (PNT) CW ENDOR spectrum,
## read expr. date (`TIME`), microwave frequency (`MWFQ`)
## in Hz and the corresponding field for saturation (`B0VL`)
## in Tesla:
pnt_endor_dsc_path <-
  load_data_example(file = "PNT_ENDOR_a.DSC")
readEPR_param_slct(pnt_endor_dsc_path,
                string = c("TIME","MWFQ","B0VL")
               )
#> $TIME
#> [1] "15:37:43"
#> 
#> $MWFQ
#> [1] 9500219000
#> 
#> $B0VL
#> [1] 0.3385339
#>