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Transitional Analysis Metrics

An introduction to the metrics generated.

Overview

ChromaAnalyzer provides advanced column‑performance assessment based on peer‑reviewed literature. This page introduces the key metrics generated by the Direct Transition Analysis (DTA) and Moment Analysis methods. Collectively, these quantitative indicators enable proactive maintenance, continuous verification, and rigorous quality control of packed columns.

Moment Analysis

Moment‑analysis metrics, developed by Larson et al. (2003), extract comprehensive column‑integrity diagnostics from routine process data without requiring dedicated tracer injections.

Number of Inflection Points

Counts peaks in the first‑derivative trace (dC/dV) exceeding 10 % of the maximum slope. An increase indicates the emergence of multiple flow paths, suggesting early channel formation.

Maximum Rate of Change (-dC/dV)max

The steepest point on the derivative reflects how sharply the buffer front moves through the bed. Lower values over successive cycles denote increased axial dispersion and loss of efficiency.

Breakthrough Volume

First column volume where the normalised signal crosses 5 % (or 95 %). An earlier breakthrough indicates preferential flow paths or voids and therefore a loss of bed integrity.

Cumulative Error (Péclet Proxy)

Integrates the absolute difference between the real transition and an ideal step (Pe → ∞). A rising value denotes increasing axial dispersion resulting from fines, voids, or headspace.

Non‑Gaussian HETP (HETPN)

Calculated from the zeroth, first, and second statistical moments to quantify plate height without assuming a Gaussian peak shape. HETPN is sensitive to cracks and other integrity defects that traditional half‑height methods may overlook.

Asymmetry Factor (Af)

Ratio of trailing to leading half‑widths at 10 % peak height. Values below 1 indicate fronting, while values above 1 indicate tailing, both of which are symptomatic of packing or flow‑distribution issues.

Gaussian HETP (HETPG)

Classical plate‑height calculated at half‑height assuming a symmetric (Gaussian) peak; retained for continuity with traditional pulse tests.

Overall Integrity Score

Combines all seven descriptors into a single 0–1 index using weighted pass / partial‑pass / fail logic. Values near 1 indicate a well‑packed, efficient column; a sustained decline warrants investigation before product quality or yield is affected.

Direct Transition Analysis (DTA)

Direct Transition Analysis (DTA), introduced by Cui et al. (2018), streamlines column assessment by extracting efficiency and symmetry directly from raw buffer‑transition curves.

TransWidth — Band‑Broadening Indicator

The column volume between 5 % and 95 % of the normalised transition. A widening TransWidth signals increased axial dispersion and reduced separation efficiency.

DirectAf — Asymmetry Measure

Derived from the average of front‑to‑back width ratios at several thresholds (10–70 %). Deviations from unity quantitatively capture fronting (<1) or tailing (>1).

Technical Terms Explained

Key concepts and terminology used in transitional analysis.

Statistical Moments (Zeroth, First, Second)

Zeroth moment: total area under the peak. First moment: mean residence volume/time. Second moment: variance, indicating peak width.

dC/dV (Derivative)

The rate of change of conductivity with respect to column volume; used to locate inflection points and assess transition sharpness.

Normalised Signal / Normalisation

Scaling detector data to a common 0–1 range to enable direct comparison between runs collected under differing detector calibrations or buffer conditions.

Axial Dispersion

The longitudinal spreading of solute along the bed; greater dispersion yields broader peaks and reduced resolution.

Péclet Number (Pe)

Dimensionless ratio of convective flow to molecular diffusion. High Pe approximates plug flow; falling Pe indicates increased mixing.

Gaussian Distribution

The ideal symmetric bell‑curve peak; deviations (skewed or multi‑modal shapes) may reveal packing imperfections or fouling.

Fronting vs Tailing

Fronting: rapid rise followed by gradual decline (Af < 1). Tailing: slow rise with extended trailing edge (Af > 1).

Buffer Transition

The change in mobile‑phase composition (e.g., low‑salt to high‑salt) used as the basis for transitional analysis.

TransWidth (95/5)

Column volume required for the signal to move from 5 % to 95 %—a direct measure of band broadening.