Descriptive Statistics
Mean/ Standard Deviation/ Quartiles/ Cross Correlations/ Scatter Effects/Kurtosis/Box-plot/Skewness/Probability Plot
Statistical Tests
Normality Test/ t-Tests/ F-Tests/ Mardia’s Multivariate Test
Cluster Analysis
K-means / K-medians Ward’s method
Hierarchical Cluster Analysis (HCA) with dendrograms
Principal Component Analysis (PCA)
Choice of using NIPALS or SVD algorithms
Rotation methods including Varimax, Equimax, Quartimax and Parsimax
Multivariate Curve Resolution (MCR)
Resolve time evolving data such as chemical reaction or chromatographic data into pure constituent profiles and pure spectra |
Regression Methods
Multiple Linear Regression (MLR) / Principal Component Regression (PCR) and Partial Least Squares Regression (PLS-R)
Choice of algorithms, NIPALS and SVD for PCR and NIPALS, Kernel Methods and Orthogonal Scores for PLSR
Improved Test Set Validation options
Q-Residuals in influence plots
L-PLS, incorporating three data tables for greater insights into data structure
Advanced Classification Methods
Projection using PCA and PLS models
Soft Independent Modelling of Class Analogy (SIMCA) now also incorporating PLS models
Linear Discriminant Analysis (LDA)
Support Vector Machines (SVM) Classification with numerous kernel types |
Spectral Functions
Smoothing
Derivatives: Moving Average/ Norris Gap/ Savitzky-Golay
Baseline Correction
Normalization
Spectroscopic: Reflectance/ Transmission/ Kubelka-Munck
Scatter Correction and Advanced Functions
Multiplicative and Extended Multiplicative Scatter Correction (MSC/ EMSC)
Standard Normal Variate (SNV)
Deresolve
Detrending
General Transforms
Improved Centre and Scale options
Spectroscopic: Reflectance/ Transmission/ Kubelka-Munck
Interaction & Squares and Individual Variable Weighting
Compute General
Fill Missing Values
Correlation Optimization Warping (COW)
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Improved Design Wizard
Interactive design setup with full descriptions and Beginner/ Expert modes
Complete range of full and fractional factorial designs
Enhanced optimization designs including Central Composite (CCD) and Box-Behnken (BB) designs
Enhanced mixture designs including Axial, Simplex Lattice and Simplex Centroid designs
Choice of Analysis Algorithms
Classical MLR and ANOVA-PLS for non-orthogonal designs
PLSR or Scheffe Polynomials for mixture designs
Comprehensive Analysis Overview
ANOVA tables and other tabular results
Cube Plots
Response Surfaces
Analysis of Effects
Interactive Tables
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