waterIso.Picarro: Finalizes water isotope data from a Picarro CRDS

In gholtgrieve/HEEL: Miscellaneous Functions From HEEL Members

Finalizes water isotope data from a Picarro CRDS

Description

This function is used to decompose and finalize raw water isotope data from a Picarro CRDS instrument. The first step is to correct for linear drift of the instrument. The second step calibrate the measured values against the working standards included in the run and calculate QA/QC metrics. The function writes a .txt with all relevant information included. A dataframe of the finalized sample data is also returned.

Usage

waterIso.Picarro(data.file, sample.file, working.STDs = c("BW","KD","SW"))

Arguments

data.file	Full file name for raw data from the instrument. Must be a .csv file! File name must start with the instrument ID number follow by "_". Character.
sample.file	Full file name for the sample information that corresponds to the raw data. Also, must be a .csv file! The file must include the following headings (and only the following headings). Best to use the template! trayNum The tray positon on the autosampler. vialNum The vail number of the sample. sampleType Aceptable identifiers include: Conditioner, Standard, and Sample. SampleDesc Unique identifier of the sample.
working.STDs	Character vector of length 3 listing names of working stadards included in the run. The first two will be used for correction and calibration, the third as the QA/QC check. Defaults to IsoLab standards "BW", "KD", "SW".

Value

Dataframe of finalized water isotope data including:

trayNum

The tray positon on the autosampler.

vialNum

The vail number of the sample.

SampleDesc

Unique identifier of the sample.

H2O.ppmv.mean

Average water concentration across saved injections in ppm by volume.

H2O.ppmv.SD

Standard deviation of water concentration across saved injections in ppm by volume.

dD.mean.VSMOW

Average 2H:1H of water across saved injections in standard delta notation relative to VSMOW.

dD.SD

Standard deviation of 2H:1H across saved injections in standard delta notation relative to VSMOW.

d18O.mean.VSMOW

Average 18O:16O of water across saved injections in standard delta notation relative to VSMOW.

d18O.SD

Standard deviation of 18O:16O across saved injections in standard delta notation relative to VSMOW.

Author(s)

Gordon W. Holtgrieve

gholtgrieve/HEEL documentation built on Nov. 20, 2023, 10:59 a.m.