proxiscoutCannabis: proxiscoutCannabis

In proximetricsR: Spectral Preprocessing and Chemometric Calibration of NIR Sensors

proxiscoutCannabis

Description

Selected samples of cannabis NIR measurements for demo purposes. Note these samples are different from the ones in proximateCannabis. The dataset contains absorbance spectra of 192 cannabis samples measured with three ProxiScout devices at the 257 standard ProxiScout wavenumbers, ranging from 3921.569 cm^{-1} to 7407.407 cm^{-1} in steps of around 13.61655 cm^{-1} (equivalent to a spectral range of 1350 nm to 2550 nm), see get_proxiscout_wavenumbers. A total number of eleven reference vectors is included: "CBDA" (Cannabidiolic acid), "CBG" (Cannabigerol), "CBD" (Cannabidiol), "CBN" (Cannabinol), "THC" (Tetrahydrocannabinol), "THCA" (Tetrahydrocannabinolic acid), "CBC" (Cannabichromene), "CBGA" (Cannabigerolic acid), "CBD_total" (total Cannabidiol), "THC_total" (total Tetrahydrocannabinol) and "CBGt" (total Cannabigerol).

Usage

data("proxiscoutCannabis")

Format

A data.frame of class "proxiscout_data" containing 192 observations of eleven response variables, with their corresponding spectral data.

Details

This dataset is an example for a typical data file for ProxiScout applications, with a total of 192 cannabis samples, selected as a subset of a larger database. It was obtained by reading a spectra file together with its corresponding property file using proxiscout_read_data. As the data contains 257 spectral columns, the object is of class "proxiscout_data".

Since the samples were measured with three different devices, the dataset is also suitable for illustrating the grouped validation plots of calibrate_models and plot.spectral_model, using deviceId as the grouping variable.

The dataset contains one clear outlier, a single sample whose absorbance is markedly higher than that of the rest of the set across the whole spectral range. This is a legitimate measurement and has been retained intentionally, as it is useful for demonstrating the detection of outliers, for example with the leverage and spectral residual diagnostics returned by validate_prediction.

It contains the following rows for each observation:

• sampleName: Characters for the name of the sample. Repeated scans of the same sample are indicated by a numerical suffix, see proxiscout_repetition_pattern.

• deviceId: Characters of the identifier of the involved ProxiScout device.

• train: Logicals, indicating whether the particular observation belongs to the training set used for the construction of the model.

• type: Characters for the type of the sample.

• CBDA: Numerics for the reference values of Cannabidiolic acid.

• CBG: Numerics for the reference values of Cannabigerol.

• CBD: Numerics for the reference values of Cannabidiol.

• CBN: Numerics for the reference values of Cannabinol.

• THC: Numerics for the reference values of Tetrahydrocannabinol.

• THCA: Numerics for the reference values of Tetrahydrocannabinolic acid.

• CBC: Numerics for the reference values of Cannabichromene.

• CBGA: Numerics for the reference values of Cannabigerolic acid.

• CBD_total: Numerics for the reference values of total Cannabidiol.

• THC_total: Numerics for the reference values of total Tetrahydrocannabinol.

• CBGt: Numerics for the reference values of total Cannabigerol.

• .repetition_group: Integers identifying the rows that correspond to repeated scans of the same sample, added by proxiscout_read_data.

• spc: A numerical matrix of the absorbance spectra, corresponding to each individual observation.

Author(s)

Marçal Plans

Source

BUCHI Labortechnik AG.

See Also

proximateCannabis

proximetricsR documentation built on Sept. 4, 2026, 5:08 p.m.