Chromatography Data Smoothing – Savitzky–Golay Algorithms for GC and HPLC

Chromatography Software Chromperfect supports Advanced data smoothing

Since 1982, Chromperfect has evolved through user feedback. In this video, Associate Professor Anders Hofer (Umeå University, Sweden) discusses how his input led to Savitzky–Golay (SG) smoothing being added to Chromperfect v8.2.4—and why SG helps preserve peak shape while reducing high-frequency noise in GC/HPLC data.

Why Savitzky–Golay chromatography smoothing?

• Peak-shape preservation: SG fits a local polynomial, minimizing peak broadening versus simple moving averages.

• High-frequency noise reduction: Particularly effective on “fast” noise; less so for low-frequency pump/drift.

• Derivative support: SG enables 1st and 2nd derivative chromatograms (zero crossing at apex; inflection mapping), useful for shoulder/fused-peak resolution.

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Real-world outcomes (from the interview)

• Less manual integration: Smoother, more repeatable baselines improve automatic peak finding.

• Improved dynamic range in practice: With smarter smoothing, analysts can reduce detector sensitivity/attenuation trade-offs while keeping clean baselines.

• Lower dependence on time constants / sampling settings: SG makes results more robust even when acquisition parameters aren’t perfectly optimized.

  
  

Practical guidance

• Use SG when you need noise suppression without losing height or broadening peaks.

• Keep the window (smoothing time) wide enough to span several noise cycles but still narrow vs. peak width.

• For low-frequency (pump) noise or drift, pair SG with appropriate baseline subtraction and instrument fixes.

• Derivatives: employ 1st derivative to pinpoint apices and 2nd derivative to locate inflection points and help separate shoulders.

About the conversation

In a chat with Chromperfect’s Jim Russell, Prof. Hofer shares two decades of experience: moving from ruler-and-printout workflows to Chromperfect, assembling custom LC systems, and leveraging SG smoothing to cut manual edits while improving reproducibility in nucleotide analyses and pathogen research. They discuss Savitzky–Golay chromatography smoothing