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System Suitability Test for SEC

Source: R/qc-functions.R
measure_sec_suitability.Rd

Performs comprehensive system suitability testing for SEC analysis, evaluating resolution, plate count, asymmetry, and other quality metrics.

Usage

measure_sec_suitability(
  data = NULL,
  peaks,
  reference_peaks = NULL,
  injected_mass = NULL,
  criteria = NULL,
  column_length = NULL
)

Arguments

data

A data frame or tibble containing chromatogram data with at minimum retention times and peak parameters.

peaks

A data frame with peak information. Must contain columns:

  • retention: Peak retention time

  • width: Peak width (at half height unless specified)

  • area: Peak area (for recovery calculation)

  • height: Peak height (optional, for asymmetry from raw data

reference_peaks

Character vector of peak names to use for resolution calculation (e.g., c("dimer", "monomer")).

injected_mass

Injected mass for recovery calculation (optional).

criteria

A list of acceptance criteria. Default uses common biopharmaceutical criteria.

column_length

Column length in cm (for plates per meter calculation).

Value

A list of class sec_suitability containing:

results

Data frame of calculated metrics and pass/fail status

passed

Logical indicating if all criteria passed

summary

Character summary of results

criteria

Criteria used for evaluation

Details

System suitability testing (SST) verifies that the chromatographic system is performing adequately before, during, and after sample analysis.

Standard SEC SST Parameters:

  • Resolution: Rs >= 1.5 between critical pair

  • Plate count: N >= specified minimum

  • Tailing factor: 0.8 <= Tf <= 1.5

  • Mass recovery: 95-105%

  • Retention time RSD: <= 1.0%

  • Peak area RSD: <= 2.0%

Regulatory References:

  • USP <621> Chromatography

  • ICH Q2(R1) Validation

  • EP 2.2.46 Chromatographic Separation Techniques

See also

Other sec-qc: measure_sec_asymmetry(), measure_sec_column_performance(), measure_sec_plate_count(), measure_sec_recovery(), measure_sec_resolution()

Examples

if (FALSE) { # \dontrun{
# Define peaks from integration results
peaks <- data.frame(
  name = c("aggregate", "dimer", "monomer", "fragment"),
  retention = c(7.2, 8.5, 9.8, 11.5),
  width = c(0.3, 0.25, 0.28, 0.35),
  area = c(2.1, 5.3, 89.2, 3.4)
)

# Run system suitability
sst <- measure_sec_suitability(
  peaks = peaks,
  reference_peaks = c("dimer", "monomer"),
  injected_mass = 0.200,
  column_length = 30
)

print(sst)
} # }