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Protein SEC Data with Aggregates

Source: R/data.R
sec_protein.Rd

A synthetic dataset containing SEC chromatograms of a monoclonal antibody (mAb) under various stress conditions, showing monomer, dimer, higher-order aggregates, and fragments.

Usage

sec_protein

Format

A tibble with 6,255 rows and 9 columns:

sample_id

Character. Sample identifier (e.g., "mAb-Reference")

elution_time

Numeric. Elution time in minutes

uv_280_signal

Numeric. UV detector signal at 280 nm

uv_214_signal

Numeric. UV detector signal at 214 nm

description

Character. Sample treatment description

monomer_pct

Numeric. Known monomer percentage

dimer_pct

Numeric. Known dimer percentage

hmw_pct

Numeric. Known high molecular weight aggregate percentage

fragment_pct

Numeric. Known fragment percentage

Source

Synthetic data generated for package testing and examples.

Details

The dataset simulates a typical mAb (~150 kDa) under various conditions:

  • Reference standard (>98% monomer)

  • Heat-stressed samples (40°C for 1-2 weeks)

  • Aged sample (12-month stability)

  • Freeze-thaw stressed sample

Species Present:

  • High molecular weight (HMW) aggregates (~600 kDa)

  • Dimer (~300 kDa)

  • Monomer (~150 kDa)

  • Fragments (~50 kDa, Fab-like)

Typical Workflow:

  1. Load data and apply baseline correction

  2. Use step_sec_aggregates to identify and quantify species

  3. Calculate percent area for each species

  4. Compare to acceptance criteria

See also

Other sec-data: sec_branched, sec_calibration_standards, sec_copolymer, sec_pmma_standards, sec_ps_standards, sec_raw_multidetector, sec_raw_standards, sec_raw_unknowns, sec_system_suitability, sec_triple_detect

Examples

data(sec_protein)

# View sample conditions
unique(sec_protein[, c("sample_id", "description", "monomer_pct")])
#> # A tibble: 5 × 3
#>   sample_id       description         monomer_pct
#>   <chr>           <chr>                     <dbl>
#> 1 mAb-Reference   Reference standard         98.5
#> 2 mAb-Stressed-1  Heat stress 40C 1wk        94  
#> 3 mAb-Stressed-2  Heat stress 40C 2wk        88  
#> 4 mAb-Aged        12 month stability         96  
#> 5 mAb-Freeze-Thaw 5x freeze-thaw             95.5

# Plot stressed vs reference
if (requireNamespace("ggplot2", quietly = TRUE)) {
  library(ggplot2)
  library(dplyr)

  sec_protein |>
    filter(sample_id %in% c("mAb-Reference", "mAb-Stressed-2")) |>
    ggplot(aes(elution_time, uv_280_signal, color = sample_id)) +
    geom_line() +
    labs(
      x = "Elution Time (min)",
      y = "UV 280 nm Signal",
      title = "Protein SEC: Reference vs Stressed"
    ) +
    theme_minimal()
}