All functions

assess_multimodels()

Assess multiple pairs of measured and predicted values

average_spc()

Average spectra in list-column by entries in grouping column

bind_lcols_dts()

Bind list-columns within a tibble into a list of data.tables

create_vip_rects()

Create a data frame containing start and end positions (wavenumbers) where variable importance in projection (VIP) is > 1

evaluate_model() summary_df()

Calculate model evaluation metrics

extract_lcols2dts()

Extract multiple tibble list-columns and return data as list of data.tables

extract_pls_vip()

Extract VIPs (variable importance in the projection) for a PLS regression model output returned from model fitting with simplerspec::fit_pls()

fit_pls() pls_ken_stone()

Calibration sampling, model tuning, and PLS regression

fit_rf()

Calibration sampling, and random forest model tuning and evaluation

gather_spc()

Gather measurements of different spectra types, corresponding x-axis values and metadata from nested list.

join_chem_spec()

Join chemical and spectral data frames

join_spc_chem()

Join spectra data and chemical data tibbles

merge_dts()

Merge list-columns of spectra, x-axis values, metadata and additional measured variables into a single long form data.table

merge_dts_l()

Wrapper function around merge_dts() for list of tibbles to aggregate data for plotting.

plot_pls_vip()

Plot stacked ggplot2 graphs with the Variable Importance for the Projection (VIP) scores, mean replicate spectra (absorbance) per sample_id, and the preprocessed spectra.

plot_spc()

Plot tibble spectra

plot_spc_ext()

ggplot2 wrapper for extended spectra plotting

predict_from_spc()

Predict soil properties of new spectra based on a list of calibration models

preprocess_spc()

Preprocess spectra

read_asd()

Read ASD fieldspec spectrometer data export into into simplerspec spectra tibble.

read_asd_bin()

Read ASD binary files and gather spectra and metadata in tibble data frame.

read_opus_bin_univ()

Read a Bruker OPUS spectrum binary file

read_opus_univ()

Read a list of Bruker OPUS spectrum binary files.

remove_outliers()

Remove outlier spectra

resample_spc()

Resample spectra in list-column to new x-axis interval

select_ref_spc()

Select a set of reference spectra to be measured by reference analysis methods

select_spc_vars()

Select every n-th spectral variable for all spectra and x-values in spectral tibble (spc_tbl)

slice_xvalues()

Slice spectra into defined x-axis ranges

soilspec_yamsys

Soil spectra and laboratory reference data from Baumann et al. (2021)

split_df2l()

Split a tibble data frame into a list of tibbles by a group column