Chapter 1 Overview¶
1.1 Purpose of the App¶
AutoStatSpectra is an application for decomposing and analyzing spectral data based on Bayesian estimation.
- From an observed spectrum, it estimates the number of peaks (model comparison) and obtains the posterior distributions of each peak parameter (position, width, intensity) in a single run
What you can do¶
- Load spectral data in multiple formats, including CSV / TXT / VAMAS / PHI SOFH / Excel
- Analyze a single spectrum, or run a group analysis that applies the same prior to multiple spectra
- Compare models over a specified search range for the number of peaks (automatic selection of the optimal number)
- Compare multiple candidate functions: Gaussian / Lorentzian / pseudo-Voigt
- Estimate the background by Bayesian estimation (Constant / Linear / Shirley) or specify it manually
- Estimate the background with arPLS
- Set priors individually for each peak (Set per peak mode)
- Export results as a ZIP archive, plot images, and PDF reports
What this manual does not cover¶
- Details of the analysis theory (the mathematical background of Bayesian estimation and Free Energy)
- The app's internal implementation and source code
- Customization for site-specific workflows
1.2 Editions and Analysis Time¶
AutoStatSpectra is available in two editions: a Web edition and a Desktop edition.
| Item | Web edition | Desktop edition |
|---|---|---|
| Usage environment | Web browser | Desktop app |
| Analysis engine | GPU | CPU |
| Where analysis runs | GPU backend | Local PC |
| Usage management | Account, billing, GPU analysis time | License key |
| Network | Required | Required for license verification |
Analysis modes¶
- Single analysis: analyze one spectrum by configuring Peak / Offset / Noise / Sampling
- Group analysis: apply the same prior to multiple spectra, with results kept per dataset
Analysis speed¶
In the Web edition, the analysis time depends on GPU backend load, the number of data points, the number of peaks, and the number of samples. The Desktop edition depends on the CPU performance of your PC. When adopting the app, verify the analysis time with your own data.