Raman Tools
Quantitative calibration and limit of detection (LOD)
Quantitative Raman is based on a simple relationship: peak intensity increases linearly with concentration. Enter the calibration points, and the tool will calculate the calibration curve, its quality (R²), as well as the limits of detection (LOD) and quantification (LOQ). Then you will be able to convert the unknown sample.
Calibration points
One pair per line: concentration, intensity (comma, semicolon, tabulator, or space). Minimum 3 points.
Method and assumptions
a, b: linear least squares regression (I = a·c + b)
Sy/x = √( Σ(Iᵢ − Îᵢ)² / (n − 2) )
LOD = 3.3 · Sy/x / a · LOQ = 10 · Sy/x / a
LOD/LOQ calculated using the residual error method of calibration (ICH/IUPAC approach). Assumes linearity and constant variance over the calibration range. Outside this range, extrapolation may be unreliable — calibrate near the expected concentrations. For trace amounts, consider SERS.
The result is indicative and does not replace full validation of the analytical method.
Have a sample you don’t want to guess about?
We conduct feasibility studies even on the most challenging samples — on your material, at your site. Leave your contact, and we will review your case and tell you directly whether Spectrally can measure it.
