Create an Analytical Method Validation Report

Creates a structured validation report object that collects results from various validation studies (calibration, precision, accuracy, etc.) and can be rendered to HTML, PDF, or Word formats using standardized templates.

This function supports two major validation frameworks:

ICH Q2(R2): International harmonized guidelines for analytical validation
USP <1225>: United States Pharmacopeia compendial validation procedures

Usage

measure_validation_report(
  title = "Analytical Method Validation Report",
  method_name = NULL,
  method_description = NULL,
  analyst = NULL,
  reviewer = NULL,
  lab = NULL,
  date = Sys.Date(),
  instrument = NULL,
  software = NULL,
  calibration = NULL,
  lod_loq = NULL,
  accuracy = NULL,
  precision = NULL,
  linearity = NULL,
  range = NULL,
  specificity = NULL,
  robustness = NULL,
  carryover = NULL,
  system_suitability = NULL,
  uncertainty = NULL,
  method_comparison = NULL,
  stability = NULL,
  criteria = NULL,
  conclusions = NULL,
  references = NULL,
  appendices = NULL,
  ...
)

Arguments

title

Report title. Default: "Analytical Method Validation Report"

method_name

Name of the analytical method being validated.

method_description

Brief description of the method (technique, analyte, matrix).

analyst

Name of the analyst(s) performing validation.

reviewer

Name of the reviewer (optional).

lab

Laboratory name or identifier.

date

Date of the validation study. Default: current date.

instrument

Instrument details (name, model, serial number).

software

Software used for data acquisition/processing.

calibration

A measure_calibration object from measure_calibration_fit().

lod_loq

LOD/LOQ results from measure_lod(), measure_loq(), or measure_lod_loq(). Can be a single object or a list.

accuracy

Accuracy results from measure_accuracy().

precision

A list containing precision study results:

repeatability: from measure_repeatability()
intermediate: from measure_intermediate_precision()
reproducibility: from measure_reproducibility() (optional)

linearity

Linearity results from measure_linearity().

range

A list with lower and upper validated range limits, or results supporting range determination.

specificity

User-provided specificity/selectivity assessment. Can be text, a data frame of interference results, or a list.

robustness

User-provided robustness study results. Can be text, a data frame, or structured results.

carryover

Carryover results from measure_carryover().

system_suitability

System suitability results from measure_system_suitability().

uncertainty

Uncertainty budget from measure_uncertainty_budget().

method_comparison

Method comparison results (Bland-Altman, Deming, Passing-Bablok) from the corresponding functions.

stability

User-provided stability data (solution stability, freeze-thaw, etc.).

criteria

A measure_criteria object defining acceptance criteria, or a named list of criteria objects for different sections.

conclusions

User-provided conclusions text or a list with summary and recommendations.

references

Character vector of references cited.

appendices

Named list of additional content to include as appendices.

...

Additional metadata to include in the report.

Value

A measure_validation_report object containing:

metadata: Report metadata (title, analyst, date, etc.)
sections: Named list of validation results by section
criteria: Acceptance criteria used
provenance: Data provenance and computational environment info
call: The function call

Details

Workflow

Run individual validation studies using measure functions
Collect results into a validation report object
Render to desired format using render_validation_report()

Supported Validation Characteristics (ICH Q2)

Specificity/Selectivity: Ability to assess analyte in presence of interferences
Linearity: Proportional response over concentration range
Range: Validated concentration interval
Accuracy: Closeness to true value (trueness)
Precision: Repeatability, intermediate precision, reproducibility
Detection Limit (LOD): Lowest detectable amount
Quantitation Limit (LOQ): Lowest quantifiable amount with acceptable precision/accuracy
Robustness: Capacity to remain unaffected by small method variations

Data Provenance

The report automatically captures:

R version and package versions
Date/time of report generation
Function calls used to generate each section

Examples

# Create sample validation data
set.seed(123)
cal_data <- data.frame(
  nominal_conc = rep(c(1, 5, 10, 25, 50, 100), each = 3),
  response = c(1, 5, 10, 25, 50, 100) * 1000 +
    rnorm(18, sd = 50),
  sample_type = "standard"
)

# Fit calibration
cal_fit <- measure_calibration_fit(
  cal_data,
  formula = response ~ nominal_conc,
  weights = "1/x"
)

# Calculate LOD/LOQ (requires sample_type column)
blank_data <- data.frame(
  response = rnorm(10, mean = 50, sd = 15),
  sample_type = "blank"
)
lod_result <- measure_lod(blank_data, response_col = "response")

# Create precision data
precision_data <- data.frame(
  concentration = rep(c(10, 50, 100), each = 6),
  replicate = rep(1:6, 3),
  response = c(
    rnorm(6, 10000, 200),
    rnorm(6, 50000, 800),
    rnorm(6, 100000, 1500)
  )
)
repeatability <- measure_repeatability(
  precision_data,
  response_col = "response",
  group_col = "concentration"
)

# Create validation report
report <- measure_validation_report(
  title = "Validation of HPLC Method for Compound X",
  method_name = "HPLC-UV Assay",
  method_description = "Reversed-phase HPLC with UV detection at 254 nm",
  analyst = "J. Smith",
  lab = "Analytical Development Lab",
  calibration = cal_fit,
  lod_loq = lod_result,
  precision = list(repeatability = repeatability),
  conclusions = "Method meets all acceptance criteria for intended use."
)

print(report)
#> 
#> ── Validation Report ───────────────────────────────────────────────────────────
#> Title: Validation of HPLC Method for Compound X
#> Method: HPLC-UV Assay
#> Analyst: J. Smith
#> Lab: Analytical Development Lab
#> Date: 2026-01-01
#> 
#> 
#> ── Validation Sections ──
#> 
#> ℹ Calibration
#> ℹ LOD/LOQ
#> ℹ Precision
#> 
#> 
#> ── Conclusions ──
#> 
#> Method meets all acceptance criteria for intended use.
#> 
#> 
#> ── Provenance ──
#> 
#> Generated: 2026-01-01 14:26:02.656987
#> R version: 4.5.2
#> measure version: 0.0.1.9001
#> 
#> ℹ Use `render_validation_report()` to generate document