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Installations

install_py_dep()
Install Python dependencies for PKbioanalysis

Study Design

create_new_study()
Create a new study in the database

Plate Design

Generate Plate

generate_96()
Generate 96 well plate

Add Entries to Plate

add_DB()
Add double blank (DB) to a plate
add_blank()
Add blank to the plate Can be either double blank (DB), CS0IS+ or CS+IS0
add_cs_curve()
Add calibration curve to the plate
add_QC()
Add quality control samples to the plate
add_DQC()
Add dilution quality control (DQC) to the plate
add_samples()
Add samples to plate with pharmacokinetic attributes
add_samples_db()
Add samples from the sample log to the plate
add_samples_db2()
Add samples from the sample log to the plate with multiplication
add_suitability()
Add suitability sample to the plate

Plate Filling Orientation

fill_scheme()
Filling orientation of the plate

Multiple Plates

combine_plates()
Combine plates in MultiPlate object
length(<MultiPlate>)
Length method for MultiPlate
`[[`(<MultiPlate>)
Subsetting method for MultiPlate

Study Starters

make_calibration_study()
Create a calibration study with calibration standards and QCs
make_metabolic_study()
Create a metabolic study layout

Plate and Study Inspection

plot(<PlateObj>)
Plotting 96 well plate
plate_metadata()
Set plate description
plate_tree()
Plot the design of the plate

Plate Registration

register_plate()
This will save the plate to the database

Injection Sequences

build_injec_seq()
Create Injection Sequence
combine_injec_lists()
Create Sample List with rigorous design
write_injec_seq()
Write injection sequence to database
download_sample_list()
Download sample list from database to local spreadsheet with vendor specific format

UI for Injection Sequence and Dilution Scheme

study_app()
bioanalytic_app

Chromatogram Analysis

read_chrom()
Read Chromatogram Files
plot_chrom()
Plot Chromatogram per Sample for Selected transitions
filter_chrom()
title Filter Chromatogram Peaks
get_compound_ID()
Find Compound ID from compound Name
get_sample_ID()
Find Sample ID from sample Name
get_sample_names()
Find sample names for all samples
has_default_RT()
check if default expected RT is set for a compound
is_smoothed()
Return an indicator if the chromatogram is smoothed
is_integrated()
Check if peak was integrated for a specific compound
read_experiment_results()
Read experiment results
smooth_chrom()
Smooth Chromatogram Peaks
update_RT()
Manually Update Observed RT for either all compounds, all next samples, or single compound and sample
export_run()
Export run
export_integration()
Export Expected RT
extract_peak_bounds()
Extract Peak Boundaries
check_chrom_cmpds()
Check Matching of Compound and Transitions in chrom_res and method database
chrom_app()
chrom_apps
area_report.PeakRes()
gt table of areas
integrate()
integrate Peak with trapzoid method given start and end
plot_peak_areas.PeakRes()
Plot peak areas
plot_RT.ChromRes()
Plotting RT intervals of chromatogram
plot_RT.PeakRes()
Plot RT
run_summary()
Get Summary of an object

Quantification

Application

quant_app()
Quantification App

Suitability

config_suitability()
Configure suitability runs

Method Precision

precision_per_vial()
Precision per vial
prefilter_precision_data()
Filter data
calc_var_summary()
Calculate Summary Statistics for Each Concentration Level For Either Concentration, Area, or Area Ratio
estim_lloq()
Estimate LLOQ From Existing Additive and Proportional errors
fit_var()
Estimate Additive and proportional errors from calibration data
formated_print()
Format and print the results of fit_var
cv()
Calculate Coefficient of variation
plot_var_pattern()
Plot Relationship Between Concentration and CV/SD
estim_dil_limit()
Estimate Dilution Limit Based on Additive and Proportional Errors and LLOQ

linearity

reverse_predict()
Reverse predict concentration from response
response_to_conc()
Convert response to concentration