summarise_mineralogy: Summarise the mineralogy from multiple powdRfps and powdRafps...

In powdR: Full Pattern Summation of X-Ray Powder Diffraction Data

Description

summarise_mineralogy creates a summary table of quantified mineral concentrations across a given dataset using a list of multiple powdRfps or powdRafps derived from fps() and afps(), respectively.

Usage

summarise_mineralogy(x, type, order, rwp, r, delta)

Arguments

x	a list of powdRfps or powdRafps objects.
type	a string specifying whether the table uses all phase ID's, or summarises them according to the phase name. One of "all" or "grouped".
order	a logical operator denoting whether the columns of the resulting summary table are ordered in descending order according to the summed abundance of each phase across the dataset.
rwp	a logical operator denoting whether to include the Rwp value as the final column in the output. This provides an objective measure of the difference between the fitted and measured patterns.
r	a logical operator denoting whether to include the R value as the final column in the output. This provides an objective measure of the difference between the fitted and measured patterns.
delta	a logical operator denoting whether to include the Delta value as the final column in the output. This provides an objective measure of the difference between the fitted and measured patterns.

Value

A data frame

Examples

data(minerals)
data(soils)

## Not run: 
multiple_afps <- lapply(soils, afps,
                        lib = minerals,
                        std = "QUA.1",
                        align = 0.2,
                        lod = 0.1,
                        amorphous = "ORG",
                        amorphous_lod = 1)

sm1 <- summarise_mineralogy(multiple_afps,
                            type = "all",
                            order = TRUE)

sm2 <- summarise_mineralogy(multiple_afps,
                            type = "grouped",
                            order = TRUE)

sm3 <- summarise_mineralogy(multiple_afps,
                            type = "grouped",
                            order = TRUE,
                            rwp = TRUE)

## End(Not run)

powdR documentation built on Aug. 13, 2021, 5:08 p.m.