IsodatHydrogenContinuousFlowFile: H-CSIA DataClass
In sebkopf/isoread: Read IRMS data from isodat files.

Description Arguments Details Methods See Also

Objects of this class hold the isotopic data from compound specific hydrogen isotope analysis recorded in Isodat file formats (currently supported isodat version is 2.0 for chromatographic and peak table data and isodat version 2.5 and 3.0 for chromatographic data only).

read_mass_data

whether to read chromatographic mass+ratio data (can be a lot of data) Evaluate data in peak table

This function uses the standards defined in the peak table to (re)evaluate the isotopic composition of the other peaks in this reference frame.

Make a ggplot of the references

By default, this makes a plot that generates an overview of how close the reference peaks are to each other. Make a ggplot of the data

By default, this makes a plot of the delta values.

This class is derived indirectly from IrmsContinuousFlowData which defines a number of useful plotting, export and data access methods.

load(...): load the data from the file and generate key lookup
plot_data(y, ylab = "", title = "data peaks"): plot the data of the actual sample peaks, see plot_data_table for details on syntax
reevaluate_peak_table(): reevalutes the peak table (not currently implemented)

BinaryFile, IsodatFile, IsodatContinuousFlowFile, IrmsContinuousFlowData, IrmsData initialize irms data container expand parent load function with key_cleanup expand parent procdess function specifically for hydrogen continuous flow data NOTE: this does NOT callSuper because the hydrogen file (.cf) seems very different from generic IsodatContinuousFlowFile (.dxf)

sebkopf/isoread documentation built on Dec. 31, 2021, 4:15 a.m.