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Generate SEC Analysis Report

Source: R/report-functions.R
measure_sec_report.Rd

Creates a comprehensive report from SEC analysis results using Quarto templates. Reports can be generated in HTML, PDF, or Word format.

Usage

measure_sec_report(
  data,
  template = c("standard", "detailed", "qc"),
  output_format = c("html", "pdf", "docx"),
  output_file = NULL,
  title = NULL,
  author = "",
  sample_id = NULL,
  include_plots = TRUE,
  include_slice_table = FALSE,
  specs = NULL,
  open = interactive(),
  quiet = FALSE
)

Arguments

data

A data frame containing SEC results with measure columns, typically from a baked recipe.

template

Report template to use: "standard" (default), "detailed", or "qc". See Details.

output_format

Output format: "html" (default), "pdf", or "docx".

output_file

Path for the output file. If NULL (default), creates a file in the current working directory with an auto-generated name.

title

Report title. Default varies by template.

author

Report author. Default is empty.

sample_id

Column name containing sample identifiers.

include_plots

Logical. Include visualizations? Default is TRUE.

include_slice_table

Logical. Include slice-by-slice data table?

Default is FALSE. Only used with "detailed" template.

specs

Named list of QC specifications for the "qc" template. See Details.

open

Logical. Open the report after generation? Default is TRUE for interactive sessions.

quiet

Logical. Suppress Quarto output messages? Default is FALSE.

Value

Invisibly returns the path to the generated report file.

Details

Templates

Three report templates are available:

"standard" (default):

  • Molecular weight summary table

  • Chromatogram overlay

  • Molecular weight distribution plot

"detailed":

  • All content from standard template

  • Multi-detector overlay

  • Conformation plot (if MALS data available)

  • Optional slice data table

  • Analysis metadata

"qc" (Quality Control):

  • System suitability metrics with pass/fail status

  • Plate count, asymmetry, and resolution tests

  • Calibration verification

  • Acceptance criteria summary

QC Specifications

For the "qc" template, you can provide custom specifications:

specs = list(
  plate_count_min = 10000,
  asymmetry_min = 0.8,
  asymmetry_max = 1.5,
  resolution_min = 1.5,
  recovery_min = 95,
  recovery_max = 105
)

Requirements

  • Quarto must be installed on your system

  • The quarto R package must be installed

  • For PDF output, a LaTeX distribution is required

See also

Other sec-export: measure_sec_compare(), measure_sec_slice_table(), measure_sec_summary_table()

Examples

if (FALSE) { # \dontrun{
library(recipes)
library(measure)

# Process SEC data
processed <- recipe(~., data = sec_triple_detect) |>
  step_measure_input_long(ri, location = vars(time), col_name = "ri") |>
  step_sec_baseline() |>
  step_sec_conventional_cal(standards = ps_standards) |>
  step_sec_mw_averages() |>
  prep() |>
  bake(new_data = NULL)

# Generate standard HTML report
measure_sec_report(processed)

# Generate detailed PDF report
measure_sec_report(
  processed,
  template = "detailed",
  output_format = "pdf",
  title = "Polymer Characterization Results",
  author = "Lab Analyst"
)

# Generate QC report with custom specifications
measure_sec_report(
  sec_system_suitability,
  template = "qc",
  specs = list(plate_count_min = 15000)
)
} # }