System Suitability Test Data

A synthetic dataset containing SEC system suitability test (SST) runs showing column degradation over time, useful for QC testing and demonstrating column performance metrics.

Usage

sec_system_suitability

Format

A tibble with 10,005 rows and 7 columns:

run_id

Character. Run identifier (e.g., "SST-Day0")

elution_time

Numeric. Elution time in minutes

ri_signal

Numeric. Refractive index detector signal

column_age_days

Numeric. Column age in days

expected_plate_count

Numeric. Expected theoretical plate count

expected_asymmetry

Numeric. Expected peak asymmetry factor

expected_resolution

Numeric. Expected resolution between peaks

Source

Synthetic data generated for package testing and examples.

Details

The dataset simulates SST runs using two polystyrene standards (50K and 100K MW) measured at different column ages (0, 30, 60, 90, 120 days).

Column Degradation Effects: As the column ages, typical degradation patterns include:

• Decreased plate count (broader peaks)

• Increased asymmetry (more tailing)

• Decreased resolution between peaks

QC Metrics Available: Use the QC functions to calculate and verify:

• measure_sec_plate_count - Theoretical plates

• measure_sec_asymmetry - Peak asymmetry

• measure_sec_resolution - Peak resolution

• measure_sec_suitability - Combined SST check

Typical Workflow:

1. Load daily SST run

2. Calculate QC metrics

3. Compare to specifications

4. Track trends over time

See also

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

Examples

data(sec_system_suitability)

# View column age progression
unique(sec_system_suitability[,
  c("run_id", "column_age_days", "expected_plate_count")])
#> # A tibble: 5 × 3
#>   run_id     column_age_days expected_plate_count
#>   <chr>                <dbl>                <dbl>
#> 1 SST-Day0                 0                45000
#> 2 SST-Day30               30                43000
#> 3 SST-Day60               60                40000
#> 4 SST-Day90               90                36000
#> 5 SST-Day120             120                32000

# Plot degradation over time
if (requireNamespace("ggplot2", quietly = TRUE)) {
  library(ggplot2)

  ggplot(sec_system_suitability, aes(elution_time, ri_signal, color = run_id)) +
    geom_line() +
    labs(
      x = "Elution Time (min)",
      y = "RI Signal",
      title = "System Suitability: Column Degradation Over Time"
    ) +
    theme_minimal()
}