Raw SEC Calibration Standards

A dataset containing raw SEC chromatograms of polystyrene narrow standards with realistic noise, baseline drift, and injection artifacts. Designed to mimic data exported directly from SEC instruments for tutorial purposes.

Usage

sec_raw_standards

Format

A tibble with approximately 130,000 rows and 6 columns:

standard_name

Character. Standard identifier (e.g., "PS-67500")

mp

Numeric. Peak molecular weight in Da from certificate

log_mp

Numeric. log10(Mp) for calibration curve fitting

dispersity

Numeric. Polydispersity index from certificate

time_min

Numeric. Elution time in minutes

ri_mv

Numeric. RI detector signal in millivolts (raw, unprocessed)

Source

Synthetic data generated for package tutorials.

Details

This dataset represents "raw" data as it would come from an SEC instrument, before any processing. Key characteristics include:

Realistic Signal Features:

• Gaussian noise on detector signal

• Slow baseline drift from temperature fluctuations

• Injection artifacts at start of run

• Peak tailing typical of SEC columns

Standards Included: 12 polystyrene narrow standards spanning 580 Da to 930,000 Da, covering the typical analytical SEC range. Standards are based on commercial kit values.

Typical Tutorial Workflow:

1. Load raw data and inspect for quality

2. Apply baseline correction with step_sec_baseline

3. Identify peak retention times

4. Build calibration curve with step_sec_conventional_cal

See also

sec_raw_unknowns for unknown samples to analyze sec_ps_standards for pre-processed calibration data step_sec_conventional_cal for calibration step

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

Other sec-raw: sec_raw_multidetector, sec_raw_unknowns

Examples

data(sec_raw_standards)

# View available standards
unique(sec_raw_standards[, c("standard_name", "mp", "dispersity")])
#> # A tibble: 12 × 3
#>    standard_name     mp dispersity
#>    <chr>          <dbl>      <dbl>
#>  1 PS-580           580       1.06
#>  2 PS-1270         1270       1.04
#>  3 PS-2960         2960       1.03
#>  4 PS-5970         5970       1.02
#>  5 PS-9680         9680       1.02
#>  6 PS-19600       19600       1.02
#>  7 PS-33500       33500       1.02
#>  8 PS-67500       67500       1.02
#>  9 PS-135000     135000       1.01
#> 10 PS-270000     270000       1.01
#> 11 PS-495000     495000       1.02
#> 12 PS-930000     930000       1.02

# Plot a single standard (shows noise and baseline)
if (requireNamespace("ggplot2", quietly = TRUE)) {
  library(ggplot2)
  library(dplyr)

  sec_raw_standards |>
    filter(standard_name == "PS-67500") |>
    ggplot(aes(time_min, ri_mv)) +
    geom_line() +
    labs(
      x = "Time (min)",
      y = "RI Signal (mV)",
      title = "Raw PS-67500 Standard",
      subtitle = "Note baseline drift and noise"
    ) +
    theme_minimal()
}