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PeakLab v1 Documentation


AIST Software

Chromatographic Peak Modeling

Understanding PeakLab's Models

The Quest for a Universal Chromatographic Fit

Nonlinear Peak Fitting

Chromatographic Peaks Overview

Model Discovery

Generalized Models and ZDDs

ZDD Concepts

Common Distortion Model

Building Generalized HVL and NLC Models

Generalized HVL Models

Generalized NLC Models

Equivalence GenHVL and GenNLC

Generalized TwoState HVL Models (Experimental)

Instrument Response Functions

IRF Concepts

IRF Determination

IRF Estimation - Standards

IRF Estimation - Fronted Peaks

IRF Estimation - Tailed Peaks

IRF Estimation - GC

IRF Model Fits

HPLC Gradient Peak Modeling

HPLC Gradient Peaks

HPLC Gradient Peaks - Direct Closed-Form Fits

HPLC Gradient Peaks - Fitting a Deconvolution Model

HPLC Gradient Peaks - Fitting the Unwound Data

Tutorials

Chromatography Peak Modeling (Tutorial)

Chromatographic Experiments (Tutorial)

IRF Deconvolution and Fitting (Tutorial)

HPLC Gradient Peaks - Direct Closed Form Fits (Tutorial)

HPLC Gradient Peaks - Fits Which Model the Gradient (Tutorial)

HPLC Gradient Peaks - Fitting Unwound Data (Tutorial)

Fitting Hidden Peaks (Tutorial)

HPLC Column Health and Overload (Tutorial)

Fitting Preparative (Overload) Peaks (Tutorial)

User Function Fitting - Experimental IRFs (Tutorial)

Two-State Experimental Models (Tutorial)

Modeling Spectra Tutorial I - Liquid UV-VIS (Tutorial)

Modeling Spectra Tutorial II - Powder FTNIR (Tutorial)

Fitting Coeluting Peaks (Tutorial)

White Papers

Generalized Chromatographic Models (White Paper)

Chromatographic Models and IRFs (White Paper)

Gradient HPLC Peaks (White Paper)

Fitting Preparative (Overload) Peaks (White Paper)

XPS Spectral Shapes (White Paper)

Modeling UV-VIS Data (White Paper)

Modeling FTNIR Spectra (White Paper)

Modeling NIR Field Site Data (White Paper)

Comparison PLS, PCR, Direct Spectral Fitting (White Paper)

PeakLab Software

PeakLab General Operations

Main Data Window

Data Table Statistics

AIA net CDF File Information

Manage Saved Fits

File Menu

ASCII Editor

Weighting Data

PeakLab Editor

Text Viewer

Copyright

Edit Menu

Help Menu

Import

3D DAD Chromatography

Printing Text

Text Editor

Data Titles

Tool Bar

PeakLab Data Preparation

Data Menu

View and Compare Data

Transform Data

Baseline

IRF Deconvolution

Voigt Deconvolution

IRF Dialog

Section Data

View Function(X)

PeakLab DSP (Digital Signal Processing)

Fourier S/N Estimation

Fourier Estimation of Spectroscopic Resolution

FFT Algorithms

Data Tapering Windows

Fourier Spectral Processing

Smooth

Interpolate/Upsample

Fourier Domain Filtering

PeakLab Fitting

Peaks Menu

Fitting Peaks Overview

Fit Local Maxima Peaks

Fit Hidden Peaks Residuals

Fit Hidden Peaks Second Derivative

ZDD Dialog

Fit Strategy

Graphical Fitting

Genetic Algorithm

Import Scan Parameter Estimates

Peak Popup

Common Parameters

Robust Fitting

Peak Fit Preferences

Model Experiment

Search for Optimum Model

Segment Fit

User-Defined Peaks

User Function Fitting - Experimental ZDDs

Maple and Mathematica Import

PeakLab Fit Analysis

PeakLab Review

Map Identification to Peaks

Deconvolution Levels

Numeric Summary

Database/Excel Numeric Summary Extract

Deconvolved Moments

Map Experimental Process Variables

Explore

Residuals Graph

Export

Evaluation Procedure

Data Summary

Step-by-Step 1-Variable Chromatography Expt

PeakLab Spectroscopic Modeling

Full-Permutation GLM Modeling

Import Spectroscopic Modeling Data

Graph All Data Sets in Spectroscopic Data Matrix

Generate GLM Data Matrix

Modify GLM Data Matrix

Combine or Partition Data Matrices

Fit GLM Models

GLM Review

GLM Model List

GLM Numeric

GLM Data

GLM Prediction

GLM Performance Analysis

GLM Significance

GLM Graph Titles

Import GLM Models

Clear All Model Data

PeakLab Graphs

PeakLab Graph

Array Layout

Printing Graphs

Graph Copy

Graph Save

MS Word Stream

Graph Scaling

Graph Scaling 3D

Graph View

Graph View 3D

Graph Point Format

Graph Point Format 3D

Graph Custom Titles

Graph Custom Titles 3D

Graph Colors

Graph Colors 3D

Modify Contour Properties

Modify Surface Properties

Specify Surface Modeling

Modify 3D Animation

Confidence and Prediction Intervals

Peak Labels

Reference Lines

Appendix

PeakLab Functions

Zero-Distortion Density Models

ZDD - Gen Default

ZDD - Gen2 Default

ZDD - [Z]

ZDD - [Y]

ZDD - [Q]

ZDD - [YpE]

ZDD - [Yp2]

ZDD - [Yp2E]

ZDD - [K]

ZDD - [T]

ZDD - [V]

ZDD - [E]

ZDD - [G]

ZDD - [S]

ZDD - [W]

ZDD - Giddings

Chromatography Peak Models

Chromatography Notes

Chromatography Functions

Gen2HVL<irf> Specializations

Delta-Impulse/Density Models

HVL (Full Range)

NLC (Full Range)

GenHVL

GenNLC

Gen2HVL

Gen2NLC

GenHVL[Z]

GenNLC[Z]

GenHVL[Y]

GenNLC[Y]

GenHVL[Yp]

GenHVL[YpE]

GenHVL[Yp2]

GenHVL[Yp2E]

GenHVL[Q]

GenHVL[V]

GenNLC[V]

GenHVL[T]

GenNLC[T]

GenHVL[E]

GenHVL[G]

GenHVL[K]

GenHVL[S]

GenHVL[W]

Other Chromatography Peak Models

Gaussian

Giddings

EMG

GMG
GEAMG

E2AMG
E2xMG
RHVL

Statistical Peak Models

Statistical Functions

Generalized Normal

LN4 Generalized Normal

Spectroscopy Peak Models

Spectroscopy Functions

Lorentzian

Voigt

Generalized Voigt

Pearson VII

Constrained Gaussian

Gamma Ray

Compton Edge

Miscellaneous Models

Convolutions Gaussian and Kinetic Decay

Transition Functions

Miscellaneous Peak Functions

Release Notes

Release Notes v1.00



Understanding PeakLab's Chromatography Models