All functions |
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Assess multiple pairs of measured and predicted values |
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Average spectra in list-column by entries in grouping column |
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Bind list-columns within a tibble into a list of data.tables |
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Create a data frame containing start and end positions (wavenumbers) where variable importance in projection (VIP) is > 1 |
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Calculate model evaluation metrics |
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Extract multiple tibble list-columns and return data as list of data.tables |
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Extract VIPs (variable importance in the projection) for a PLS regression model output returned from model fitting with |
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Calibration sampling, model tuning, and PLS regression |
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Calibration sampling, and random forest model tuning and evaluation |
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Gather measurements of different spectra types, corresponding x-axis values and metadata from nested list. |
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Join chemical and spectral data frames |
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Join spectra data and chemical data tibbles |
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Merge list-columns of spectra, x-axis values, metadata and additional measured variables into a single long form data.table |
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Wrapper function around |
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Plot stacked ggplot2 graphs with the Variable Importance for the Projection (VIP) scores, mean replicate spectra (absorbance) per sample_id, and the preprocessed spectra. |
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Plot tibble spectra |
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ggplot2 wrapper for extended spectra plotting |
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Predict soil properties of new spectra based on a list of calibration models |
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Preprocess spectra |
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Read ASD fieldspec spectrometer data export into into simplerspec spectra tibble. |
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Read ASD binary files and gather spectra and metadata in tibble data frame. |
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Read a Bruker OPUS spectrum binary file |
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Read a list of Bruker OPUS spectrum binary files. |
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Remove outlier spectra |
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Resample spectra in list-column to new x-axis interval |
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Select a set of reference spectra to be measured by reference analysis methods |
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Select every n-th spectral variable for all spectra and x-values in spectral tibble ( |
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Slice spectra into defined x-axis ranges |
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Soil spectra and laboratory reference data from Baumann et al. (2021) |
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Split a tibble data frame into a list of tibbles by a group column |