Read the EPR Instrumental Parameters and Information for Tabular Outputs

Taking the instrumental parameters from the .DSC/.dsc or .par files, applied to record the EPR Spectra, and transferring them into list of Tables/Data Frames. They include either parameter values and their units or character/string information about the measurement, see also the readEPR_param_slct function.

Usage

readEPR_params_tabs(path_to_dsc_par, origin = "xenon", interact = NULL)

Arguments

path_to_dsc_par

Character string, path (also provided by file.path) to .DSC/.dsc or .par (depending on origin parameter) text files, including instrumental parameters and provided by the EPR machine.

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").

interact

Character string, whether to display interactive tables by the datatable. Default: interact = NULL. Interactive table with parameters can be displayed by interact = "params" or to display the additional information table: interact = "info".

Value

List of data frames/tables containing:

params

Instrumental parameters with their numeric values and units.

info

Information character string, such as date, operator, comment...etc.

Both data frames may be depicted in the form of interactive tables by the interact function argument.

See also

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

Examples

## loading built-in example file =>
## "AcridineDeriv_Irrad_365nm.dsc" by `Magnettech`
## spectrometer software
AcridinRad.data.file <-
  load_data_example("AcridineDeriv_Irrad_365nm.dsc")
## reading and displaying parameters as data frame
AcridinRad.params.data <-
  readEPR_params_tabs(AcridinRad.data.file,
                      origin = "magnettech")
#
## parameters preview
AcridinRad.params.data$params
#>               Parameter        Value     Unit
#> 1             Frequency     9.433125      GHz
#> 2                QValue  1828.859253 Unitless
#> 3         Central Field  3400.000000        G
#> 4           Sweep Width   300.000000        G
#> 5  Modulation Amplitude     0.100000       mT
#> 6         Num. of Scans     1.000000 Unitless
#> 7      Number of Points 60000.000000 Unitless
#> 8                 Power     3.240000       mW
#> 9       Conversion Time     0.013000        s
#> 10           Sweep Time   780.000000        s
#> 11          Temperature   302.502520        K
#> 12 Modulation Frequency   100.000000      kHz
#
## info preview
AcridinRad.params.data$info
#>                 Parameter                                  Information
#> 1                Operator                                         user
#> 2                    Date                                     12/07/22
#> 3          Recording Time                                     10:22:51
#> 4                 Comment                                           ''
#> 5        Experiment Title 20221207_102412944_Ms-tBu-acr-DIPEA-365nm_01
#> 6 X Var. (e.g. B/RF) Unit                                            G
#
## built-in example file => "TMPD_specelchem_accu_b.par"
## by the `WinEPR` spectrometer software
tmpd.params.file <-
  load_data_example(file = "TMPD_specelchem_accu_b.par")
## reading and displaying parameters as data frame
tmpd.params.tab <-
  readEPR_params_tabs(tmpd.params.file,
                      origin = "winepr")
#
## preview
tmpd.params.tab$params
#>               Parameter        Value     Unit
#> 1             Frequency     9.814155      GHz
#> 2         Central Field  3499.170000        G
#> 3           Sweep Width   120.000000        G
#> 4  Modulation Amplitude     0.500000        G
#> 5       Number of Scans    20.000000 Unitless
#> 6      Number of Points  2401.000000 Unitless
#> 7                 Power     5.024000       mW
#> 8       Conversion Time     0.008000        s
#> 9            Sweep Time    19.208000        s
#> 10         Acquire Time   384.160000        s
#> 11        Time Constant     0.005120        s
#> 12          Temperature   295.068344        K
#> 13        Receiver Gain 39905.250000 Unitless
##
## the same data frame, now in interactive table form
readEPR_params_tabs(tmpd.params.file,
                    origin = "winepr",
                    interact = "params")