Package: measure 0.0.1.9002

measure: A Recipes-Style Interface to Tidymodels for Analytical Measurements

Provides preprocessing steps for analytical measurement data such as spectroscopy and chromatography within the 'tidymodels' framework. Extends 'recipes' with steps for common spectral preprocessing techniques.

Authors:James Wade [aut, cre], Max Kuhn [ctb]

measure_0.0.1.9002.tar.gz
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manual.pdf |manual.html✨
card.svg |card.png
measure/json (API)

# Install 'measure' in R:
install.packages('measure', repos = c('https://jameshwade.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/jameshwade/measure/issues

Pkgdown/docs site:https://jameshwade.github.io

Datasets:

On CRAN:

Conda:

recipestidymodels

6.20 score 5 stars 175 scripts 253 exports 68 dependencies

Last updated from:aac4cf0c6b (on main). Checks:9 OK. Indexed: yes.

TargetResultTimeFilesSyslog
linux-devel-x86_64OK369
source / vignettesOK309
linux-release-x86_64OK370
macos-release-arm64OK228
macos-oldrel-arm64OK189
windows-develOK475
windows-releaseOK421
windows-oldrelOK410
wasm-releaseOK171

Exports:add_param_jitteradd_validation_sectionalign_max_shiftalign_segment_lengthall_passassess_deconv_qualityaugmentbaseline_alphabaseline_asymmetrybaseline_degreebaseline_half_windowbaseline_lambdabaseline_spanbaseline_windowbigaussian_peak_modelbin_widthcheck_axis_consistencycheck_for_measurecheck_measure_recipecheck_quality_gatescreate_peak_modelcriteria_bioanalyticalcriteria_bland_altmancriteria_ich_q2criteria_matrix_effectscriteria_method_comparisoncriteria_proficiency_testingcriteria_surrogate_recoverycriterionderivative_gapderivative_orderderivative_segmentdespike_thresholddifferentiation_orderemg_peak_modelemsc_degreefind_measure_colsfind_measure_nd_colsfind_peaks_colsfourier_cutoffgaussian_peak_modelget_failuresget_measure_col_ndimget_peak_algorithmget_validation_sectionglancehas_measure_colhas_peak_algorithmhas_peak_modelhas_validation_sectioninfer_axis_typeinitialize_peak_paramsis_measure_calibrationis_measure_listis_measure_nd_listis_measure_nd_tblis_measure_tblis_peak_modelis_peaks_listlorentzian_peak_modelmeasure_accuracymeasure_applymeasure_assessmeasure_axis_infomeasure_bland_altmanmeasure_calibration_fitmeasure_calibration_predictmeasure_calibration_verifymeasure_carryovermeasure_column_patternsmeasure_column_summarymeasure_control_chartmeasure_control_limitsmeasure_criteriameasure_deming_regressionmeasure_detect_driftmeasure_dim_namesmeasure_dim_unitsmeasure_foldmeasure_gage_rrmeasure_grid_infomeasure_identify_columnsmeasure_intermediate_precisionmeasure_is_regularmeasure_linearitymeasure_lodmeasure_lod_loqmeasure_loqmeasure_mapmeasure_map_safelymeasure_matrix_effectmeasure_ndimmeasure_packsmeasure_passing_bablokmeasure_plot_summarymeasure_proficiency_scoremeasure_projectmeasure_quality_summarymeasure_repeatabilitymeasure_reproducibilitymeasure_sample_typesmeasure_slicemeasure_standardize_sample_typemeasure_stepsmeasure_summarizemeasure_system_suitabilitymeasure_uncertaintymeasure_uncertainty_budgetmeasure_unfoldmeasure_validate_metadatameasure_validation_reportnew_measure_listnew_measure_nd_listnew_measure_nd_tblnew_measure_tblnew_peak_modeloptimize_deconvolutionosc_n_componentsoutlier_thresholdpeak_algorithmspeak_location_maxpeak_location_minpeak_model_areapeak_model_boundspeak_model_gradientpeak_model_gradient_numericalpeak_model_initial_guesspeak_model_param_namespeak_model_valuepeak_modelsplot_measure_comparisonregister_measure_packregister_measure_stepregister_peak_algorithmregister_peak_modelrender_validation_reportset_measure_rolessmooth_sigmasmooth_windowstep_measure_absorbancestep_measure_align_cowstep_measure_align_dtwstep_measure_align_ptwstep_measure_align_referencestep_measure_align_shiftstep_measure_augment_noisestep_measure_augment_scalestep_measure_augment_shiftstep_measure_baseline_airplsstep_measure_baseline_alsstep_measure_baseline_arplsstep_measure_baseline_asplsstep_measure_baseline_autostep_measure_baseline_customstep_measure_baseline_fastchromstep_measure_baseline_gpcstep_measure_baseline_iarplsstep_measure_baseline_minimastep_measure_baseline_morphstep_measure_baseline_morphologicalstep_measure_baseline_polystep_measure_baseline_pystep_measure_baseline_rfstep_measure_baseline_rollingstep_measure_baseline_snipstep_measure_baseline_tophatstep_measure_batch_referencestep_measure_binstep_measure_calibrate_xstep_measure_calibrate_ystep_measure_centerstep_measure_channel_alignstep_measure_channel_combinestep_measure_channel_ratiostep_measure_derivativestep_measure_derivative_gapstep_measure_despikestep_measure_detrendstep_measure_dilution_correctstep_measure_drift_linearstep_measure_drift_qc_loessstep_measure_drift_splinestep_measure_emscstep_measure_excludestep_measure_filter_fourierstep_measure_imputestep_measure_input_longstep_measure_input_widestep_measure_integralsstep_measure_interpolatestep_measure_kubelka_munkstep_measure_logstep_measure_mapstep_measure_mcr_alsstep_measure_momentsstep_measure_mscstep_measure_mw_averagesstep_measure_mw_distributionstep_measure_mw_fractionsstep_measure_normalize_aucstep_measure_normalize_istdstep_measure_normalize_maxstep_measure_normalize_peakstep_measure_normalize_rangestep_measure_normalize_sumstep_measure_normalize_vectorstep_measure_oscstep_measure_output_longstep_measure_output_widestep_measure_parafacstep_measure_peaks_deconvolvestep_measure_peaks_detectstep_measure_peaks_filterstep_measure_peaks_integratestep_measure_peaks_propertiesstep_measure_peaks_to_tablestep_measure_qc_bracketstep_measure_qc_outlierstep_measure_qc_saturatedstep_measure_qc_snrstep_measure_ratio_referencestep_measure_ratiosstep_measure_resamplestep_measure_savitzky_golaystep_measure_scale_autostep_measure_scale_paretostep_measure_scale_rangestep_measure_scale_vaststep_measure_smooth_gaussianstep_measure_smooth_mastep_measure_smooth_medianstep_measure_smooth_waveletstep_measure_snvstep_measure_standard_additionstep_measure_subtract_blankstep_measure_subtract_referencestep_measure_surrogate_recoverystep_measure_transmittancestep_measure_trimstep_measure_tuckersubtract_rf_baselinesum_peak_modelstidytunableuncertainty_componentuncertainty_type_auncertainty_type_b_expandeduncertainty_type_b_rectangularunregister_peak_algorithmunregister_peak_modelvalidate_measurevalidate_peak_model_paramswindow_side

Dependencies:classcliclockcodetoolscpp11data.tablediagramdialsDiceDesigndigestdplyrfarverfuturefuture.applygenericsggplot2globalsgluegowergtablehardhatIDPmiscipredisobandKernSmoothlabelinglatticelavalifecyclelistenvlubridatemagrittrMASSMatrixnnetnumDerivparallellypillarpkgconfigpracmaprodlimprogressrpurrrR6RColorBrewerRcpprecipesrlangrpartS7scalessfdshapesparsevctrsSQUAREMstringistringrsurvivaltibbletidyrtidyselecttimechangetimeDatetzdbutf8vctrsviridisLitewithr

Explanation: Internal Class System

Rendered fromexplanation-internals.Rmdusingknitr::rmarkdownon Jun 03 2026.

Last update: 2026-01-07
Started: 2026-01-07

Reference: Analytical Method Validation

Rendered fromreference-validation.Rmdusingknitr::rmarkdownon Jun 03 2026.

Last update: 2026-01-07
Started: 2026-01-07

Reference: Multi-Dimensional Measurements

Rendered fromreference-multidimensional.Rmdusingknitr::rmarkdownon Jun 03 2026.

Last update: 2026-01-07
Started: 2026-01-07

Readme and manuals

Help Manual

Help pageTopics
Add Jitter to Parameters for Multi-Start Optimizationadd_param_jitter
Add or update a validation sectionadd_validation_section
Parameters for alignment stepsalign_max_shift align_segment_length
Check if All Criteria Passall_pass
Assess Deconvolution Qualityassess_deconv_quality
Augment Calibration Dataaugment.measure_calibration
Autoplot Methods for Measure Objectsautoplot-measure autoplot.measure_list autoplot.measure_tbl autoplot.recipe
Plot Bland-Altman Analysisautoplot.measure_bland_altman
Plot Calibration Curve Diagnosticsautoplot.measure_calibration
Plot Control Chartautoplot.measure_control_chart
Plot Method Comparison Regressionautoplot.measure_deming_regression autoplot.measure_passing_bablok
Plot Linearity Assessment Resultsautoplot.measure_linearity
Plot Matrix Effectsautoplot.measure_matrix_effect
Plot Proficiency Test Scoresautoplot.measure_proficiency_score
Plot Uncertainty Budgetautoplot.measure_uncertainty_budget
Parameters for baseline correction stepsbaseline_alpha baseline_asymmetry baseline_degree baseline_half_window baseline_lambda baseline_span baseline_window
Create Bi-Gaussian Peak Modelbigaussian_peak_model
Parameters for feature engineering and scatter correctionbin_width emsc_degree osc_n_components
Check axis consistency across samplescheck_axis_consistency
Check Measure Recipe Structurecheck_measure_recipe
Check if Fit Passes Quality Gatescheck_quality_gates
Create a Peak Model by Namecreate_peak_model
Preset Acceptance Criteriacriteria_bioanalytical criteria_bland_altman criteria_ich_q2 criteria_matrix_effects criteria_method_comparison criteria_presets criteria_proficiency_testing criteria_surrogate_recovery
Create an Acceptance Criterioncriterion
Parameters for derivative stepsderivative_gap derivative_order derivative_segment
Create EMG Peak Modelemg_peak_model
Find measure columns in a data framefind_measure_cols
Find n-dimensional measure columns in a data framefind_measure_nd_cols
Find peaks columns in a data framefind_peaks_cols
Convert Measure Objects to Data Frames for Plottingfortify-measure fortify.measure_list fortify.measure_tbl
Extract Calibration Curve Datafortify.measure_calibration
Create Gaussian Peak Modelgaussian_peak_model
Extract Failed Criteriaget_failures
Get the dimensionality of a measure columnget_measure_col_ndim
Get a Peak Detection Algorithmget_peak_algorithm
Get validation section dataget_validation_section
Glance at Calibration Curve Summaryglance.measure_calibration
Raman Spectra Bioreactor Databioreactors_large bioreactors_small glucose_bioreactors
Check if data frame has measure column(s)has_measure_col
Check if a Peak Algorithm Existshas_peak_algorithm
Check if a Peak Model Existshas_peak_model
Check if validation report has a sectionhas_validation_section
Simulated HPLC Chromatography Datahplc_chromatograms
Infer axis type from location valuesinfer_axis_type
Smart Parameter Initialization for Peak Deconvolutioninitialize_peak_params
Test if Object is a Calibration Curveis_measure_calibration
Test if object is a measure listis_measure_list
Test if object is an n-dimensional measure listis_measure_nd_list
Test if object is an n-dimensional measure tibbleis_measure_nd_tbl
Test if object is a measure tibbleis_measure_tbl
Test if Object is a Peak Modelis_peak_model
Test if object is a peaks listis_peaks_list
Create Lorentzian Peak Modellorentzian_peak_model
Simulated MALDI-TOF Mass Spectrometry Datamaldi_spectra
Accuracy Assessmentmeasure_accuracy
Apply a function to measurement data along dimensionsmeasure_apply
Assess Data Against Acceptance Criteriameasure_assess
Get axis information from measure datameasure_axis_info
Bland-Altman Method Comparisonmeasure_bland_altman
Calibration Curve Objectmeasure_calibration measure_calibration-class
Fit a Calibration Curvemeasure_calibration_fit
Predict Concentrations from Calibration Curvemeasure_calibration_predict
Verify Calibration Curve Performancemeasure_calibration_verify
Carryover Assessmentmeasure_carryover
Common column naming patterns for analytical datameasure_column_patterns
Get Column Summary by Typemeasure_column_summary
Generate Control Chartmeasure_control_chart
Calculate Control Limitsmeasure_control_limits
Create a Set of Acceptance Criteriameasure_criteria
Deming Regression for Method Comparisonmeasure_deming_regression
Detect Drift in Analytical Datameasure_detect_drift
Get dimension names of an n-dimensional measurementmeasure_dim_names
Get dimension units of an n-dimensional measurementmeasure_dim_units
Fold 1D measurement back to n-dimensionalmeasure_fold
Gage R&R (Measurement System Analysis)measure_gage_rr
Get grid information for an n-dimensional measurementmeasure_grid_info
Identify Column Types in Analytical Datameasure_identify_columns
Intermediate Precision (Between-Run Precision)measure_intermediate_precision
Check if an n-dimensional measurement has a regular gridmeasure_is_regular
Linearity Assessmentmeasure_linearity
Calculate Limit of Detection (LOD)measure_lod
Calculate LOD and LOQ Togethermeasure_lod_loq
Calculate Limit of Quantitation (LOQ)measure_loq
Apply a Function to Each Sample's Measurementsmeasure_map
Apply a Function Safely to Each Sample's Measurementsmeasure_map_safely
Matrix Effect Analysismeasure_matrix_effect
Get the number of dimensions of a measurementmeasure_ndim
List Registered Technique Packsmeasure_packs
Passing-Bablok Regression for Method Comparisonmeasure_passing_bablok
Plot Summary Statistics for Measure Datameasure_plot_summary
Proficiency Testing Scoresmeasure_proficiency_score
Project n-dimensional measurement by aggregating across dimensionsmeasure_project
Summarize measure data qualitymeasure_quality_summary
Repeatability (Within-Run Precision)measure_repeatability
Reproducibility (Between-Lab Precision)measure_reproducibility
Canonical Sample Typesmeasure_sample_types
Extract slices from n-dimensional measurementmeasure_slice
Standardize Sample Type Valuesmeasure_standardize_sample_type
List Available Stepsmeasure_steps
Summarize Measurements Across Samplesmeasure_summarize
System Suitability Checkmeasure_system_suitability
Quick Uncertainty Calculationmeasure_uncertainty
Create an Uncertainty Budgetmeasure_uncertainty_budget
Unfold n-dimensional measurement to 1Dmeasure_unfold
Validate Analytical Metadatameasure_validate_metadata
Create an Analytical Method Validation Reportmeasure_validation_report
Fat, water and protein content of meat samplesmeats_long
Create a new measure listnew_measure_list
Create a new n-dimensional measure listnew_measure_nd_list
Create a new n-dimensional measure tibblenew_measure_nd_tbl
Create a new measure tibblenew_measure_tbl
Create a Peak Model Objectnew_peak_model
Optimize Peak Deconvolutionoptimize_deconvolution
Parameters for quality control stepsoutlier_threshold
List Available Peak Detection Algorithmspeak_algorithms
Parameters for peak normalizationpeak_location_max peak_location_min
Calculate Peak Areapeak_model_area
Get Parameter Bounds for Optimizationpeak_model_bounds
Calculate Peak Model Gradientpeak_model_gradient
Numerical Gradient for Peak Modelpeak_model_gradient_numerical
Generate Initial Parameter Guesspeak_model_initial_guess
Get Parameter Names from Peak Modelpeak_model_param_names
Evaluate Peak Modelpeak_model_value
List Available Peak Modelspeak_models
Compare Multiple Preprocessing Recipesplot_measure_comparison
Print a Validation Reportprint.measure_validation_report
Register a Technique Packregister_measure_pack
Register a Step from a Technique Packregister_measure_step
Register a Peak Detection Algorithmregister_peak_algorithm
Register a Peak Modelregister_peak_model
Render a Validation Report to Document Formatrender_validation_report
SEC/GPC Calibration Standards Summarysec_calibration
Simulated SEC/GPC Chromatography Datasec_chromatograms
Set Measure Roles in a Recipeset_measure_roles
Parameters for smoothing stepsdespike_threshold fourier_cutoff smooth_sigma smooth_window
Convert Transmittance to Absorbancestep_measure_absorbance
Correlation Optimized Warping Alignmentstep_measure_align_cow
Dynamic Time Warping Alignmentstep_measure_align_dtw
Parametric Time Warping Alignmentstep_measure_align_ptw
Align to Reference Spectrumstep_measure_align_reference
Shift Alignment via Cross-Correlationstep_measure_align_shift
Add Random Noise to Measurementsstep_measure_augment_noise
Random Intensity Scalingstep_measure_augment_scale
Add Random X-axis Shiftsstep_measure_augment_shift
Adaptive Iteratively Reweighted Penalized Least Squares Baselinestep_measure_baseline_airpls
Asymmetric Least Squares (ALS) Baseline Correctionstep_measure_baseline_als
Asymmetrically Reweighted Penalized Least Squares Baseline Correctionstep_measure_baseline_arpls
Adaptive Smoothness Penalized Least Squares Baselinestep_measure_baseline_aspls
Automatic Baseline Correction Method Selectionstep_measure_baseline_auto
Custom Baseline Correction with User-Provided Functionstep_measure_baseline_custom
Fast Chromatography Baseline Correctionstep_measure_baseline_fastchrom
GPC/SEC Baseline Correctionstep_measure_baseline_gpc
Improved arPLS Baseline Correction (Two-Stage)step_measure_baseline_iarpls
Local Minima Interpolation Baseline Correctionstep_measure_baseline_minima
Iterative Morphological Baseline Correctionstep_measure_baseline_morph
Morphological Baseline Correction (Erosion/Dilation)step_measure_baseline_morphological
Polynomial Baseline Correctionstep_measure_baseline_poly
Python-Based Baseline Correction via pybaselinesstep_measure_baseline_py
Robust Fitting Baseline Correctionstep_measure_baseline_rf
Rolling Ball Baseline Correctionstep_measure_baseline_rolling
SNIP Baseline Correctionstep_measure_baseline_snip
Top-Hat Morphological Baseline Correctionstep_measure_baseline_tophat
Reference-Based Batch Correctionstep_measure_batch_reference
Spectral Binningstep_measure_bin
Apply X-Axis Calibrationstep_measure_calibrate_x
Apply Y-Axis Calibration (Response Factor)step_measure_calibrate_y
Mean Centeringstep_measure_center
Align Multiple Channels to a Common Gridstep_measure_channel_align
Combine Multiple Channelsstep_measure_channel_combine
Compute Ratios Between Channelsstep_measure_channel_ratio
Simple Finite Difference Derivativesstep_measure_derivative
Gap (Norris-Williams) Derivativesstep_measure_derivative_gap
Remove Spikes and Outliers from Measurementsstep_measure_despike
Remove Trend from Measurementsstep_measure_detrend
Dilution Factor Correctionstep_measure_dilution_correct
Linear Drift Correctionstep_measure_drift_linear
QC-Based Drift Correction Using LOESSstep_measure_drift_qc_loess
Spline-Based Drift Correctionstep_measure_drift_spline
Extended Multiplicative Scatter Correction (EMSC)step_measure_emsc
Exclude Measurement Rangesstep_measure_exclude
Fourier Low-Pass Filteringstep_measure_filter_fourier
Impute Missing Values in Measurementsstep_measure_impute
Ingest Measurements from a Single Columnstep_measure_input_long
Ingest Measurements in Separate Columnsstep_measure_input_wide
Calculate Region Integralsstep_measure_integrals
Interpolate Gaps in Measurement Datastep_measure_interpolate
Kubelka-Munk Transformationstep_measure_kubelka_munk
Log Transformationstep_measure_log
Apply a Custom Function to Measurementsstep_measure_map
MCR-ALS Decomposition for Multi-Dimensional Datastep_measure_mcr_als
Calculate Statistical Momentsstep_measure_moments
Multiplicative Scatter Correction (MSC)step_measure_msc
Calculate Molecular Weight Averages for SEC/GPCstep_measure_mw_averages
Generate Molecular Weight Distribution Curvestep_measure_mw_distribution
Calculate Molecular Weight Fractions for SEC/GPCstep_measure_mw_fractions
Normalize by Area Under Curvestep_measure_normalize_auc
Internal Standard Normalizationstep_measure_normalize_istd
Normalize by Maximum Valuestep_measure_normalize_max
Normalize to a Specific Peak Regionstep_measure_normalize_peak
Normalize to Range 0-1step_measure_normalize_range
Normalize by Sum (Total Intensity)step_measure_normalize_sum
Normalize by L2 (Euclidean) Normstep_measure_normalize_vector
Orthogonal Signal Correction (OSC)step_measure_osc
Reorganize Measurements to Long Formatstep_measure_output_long
Reorganize Measurements to Separate Columnsstep_measure_output_wide
PARAFAC Decomposition for Multi-Dimensional Datastep_measure_parafac
Deconvolve Overlapping Peaksstep_measure_peaks_deconvolve
Detect Peaks in Measurementsstep_measure_peaks_detect
Filter Peaks by Criteriastep_measure_peaks_filter
Integrate Peak Areasstep_measure_peaks_integrate
Calculate Peak Propertiesstep_measure_peaks_properties
Convert Peaks to Tidy Tablestep_measure_peaks_to_table
QC Bracketing Interpolationstep_measure_qc_bracket
Detect Outlier Samplesstep_measure_qc_outlier
Detect Saturated Measurementsstep_measure_qc_saturated
Calculate Signal-to-Noise Ratiostep_measure_qc_snr
Compute Ratio to Reference Spectrumstep_measure_ratio_reference
Calculate Region Ratiosstep_measure_ratios
Resample Measurements to New Gridstep_measure_resample
Savitzky-Golay Pre-Processingstep_measure_savitzky_golay
Auto-Scaling (Z-Score Normalization)step_measure_scale_auto
Pareto Scalingstep_measure_scale_pareto
Range Scalingstep_measure_scale_range
VAST Scaling (Variable Stability Scaling)step_measure_scale_vast
Gaussian Kernel Smoothingstep_measure_smooth_gaussian
Moving Average Smoothingstep_measure_smooth_ma
Median Filter Smoothingstep_measure_smooth_median
Wavelet Denoisingstep_measure_smooth_wavelet
Standard Normal Variate (SNV) Transformationstep_measure_snv
Standard Addition Correctionstep_measure_standard_addition
Subtract Blank Measurementstep_measure_subtract_blank
Subtract or Divide by Reference Spectrumstep_measure_subtract_reference
Surrogate/Internal Standard Recoverystep_measure_surrogate_recovery
Convert Absorbance to Transmittancestep_measure_transmittance
Trim Measurements to Specified Rangestep_measure_trim
Tucker Decomposition for Multi-Dimensional Datastep_measure_tucker
Subtract baseline using robust fitting methodsubtract_rf_baseline
Sum Multiple Peak Modelssum_peak_models
Summarize a Validation Reportsummary.measure_validation_report
Tidy a Calibration Curvetidy.measure_calibration tidy.measure_calibration_verify
Tidy LOD/LOQ Resultstidy.measure_lod
Tidy an Uncertainty Budgettidy.measure_uncertainty_budget
Tidy a Validation Reporttidy.measure_validation_report
Create an Uncertainty Componentuncertainty_component
Create Type A Uncertainty from Repeated Measurementsuncertainty_type_a
Create Type B Uncertainty from Expanded Uncertaintyuncertainty_type_b_expanded
Create Type B Uncertainty from Rectangular Distributionuncertainty_type_b_rectangular
Unregister a Peak Detection Algorithmunregister_peak_algorithm
Unregister a Peak Modelunregister_peak_model
Validate measure datavalidate_measure
Validate Peak Model Parametersvalidate_peak_model_params
Parameter for measure stepsdifferentiation_order window_side