New version of The Unscrambler® X Multivariate Data Analysis and Design of Experiments software released

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  • Published: May 16, 2013
  • Categories: Chemometrics & Informatics
thumbnail image: New version of The Unscrambler® X Multivariate Data Analysis and Design of Experiments software released

CAMO Software has released a new version of their popular chemometrics software, The Unscrambler® X. The latest version includes better handling of process data and improvements to key features including the Design of Experiments module, sample selection and plotting.

For almost 30 years, The Unscrambler® has helped organizations improve product development, process understanding and quality control through deeper data insights. It is recognized as the leading multivariate data analysis software for analyzing spectra, and is widely used in the Pharmaceuticals, Chemicals, Agriculture, Food & Beverage, Pulp & Paper, Mining & Metals, Oil & Gas, Manufacturing, Research & Academia, Energy, Automotive and Medical Devices sectors.

The new version offers better plotting tools, advanced sample selection techniques, a new spectroscopic transformation, an improved Design of Experiments module and better handling of process data.

Download a free trial version here

The Unscrambler® X version 10.3 continues CAMO’s tradition of delivering advanced multivariate data analysis software that is easy to use and offers exceptional data visualization. It includes exploratory data analysis, regression and classification methods, predictive modeling, design of experiments and descriptive statistics.

One of the key improvements in version 10.3 is better handling of process data, with the option for Units and Ranges to be defined and saved with PLSR, PCR, MLR and PCA models for assigning multiple input parameters; the ability to set alarm and warning limits for PLSR, PCR, MLR and PCA models; and an optional plug-in enabling direct import from OPC DA servers and OSISoft PI databases.

Sample selection tools now include the Kennard-Stone method, which is very useful for selecting representative samples for calibration and validation (or storage) for NIR or other spectroscopic data. A new spectroscopic Attenuated Total Reflectance (ATR) transformation has been added to correct for wavelength dependent light penetration effects in IR spectroscopy.

Another of the main improvements are the highly interactive response surface plots in the Design of Experiments (DoE) module, which allow users to set optimization constraints and tune levels using slider controls, as well as to graphically optimize several responses simultaneously.

D-optimal designs in the DoE module have also been enhanced, allowing for fast generation of optimal designs in constrained situations, more robust designs by adding space-filling points and better support for combined process/mixture models.

Improvements in the plotting tools include the ability to remember settings, 2D-scatter plots automatically grouped by first category variable in data tables, sample labeling by data value and new outlier plots with F-residuals.

Feature overview of

Regression and Prediction methods

Develop models from existing data and predict the value of new samples with the powerful regression analysis tools in The Unscrambler® X. Includes:

  • Multiple Linear Regression (MLR)
  • Principal Component Regression (PCR)
  • Partial Least Squares Regression (PLSR)
  • L-shaped Partial Least Squares Regression (L-PLSR)
  • Support Vector Machine Regression (SVM-R)







Multivariate Classification methods

Predict which category a sample belongs to with advanced classification methods in The Unscrambler® X. Includes:

  • Linear Discriminant Analysis (LDA)
  • Support Vector Machine Classifi cation (SVM-C)
  • Partial Least Squares Discriminant Analysis (PLS-DA)
  • Soft Independent Modeling of Class Analogy (SIMCA)


Exploratory data analysis tools

Cut through complex data to find patterns easily using the powerful exploratory data analysis tools in The Unscrambler® X. Includes:

  • Principal Component Analysis (PCA)
  • Cluster Analysis
  • Multivariate Curve Resolution (MCR)
  • Descriptive statistics and classical statistics including T-tests, F-tests


Advanced pre-treatment options

Ensuring data is clean and in shape to be analyzed is essential, especially with instrument data, such as spectra. The Unscrambler® X offers the most comprehensive and advanced range of data pre-treatment tools, making it the ideal software for spectroscopic applications. Includes:

  • Smoothing
  • Normalization
  • Derivatives
  • Baseline correction
  • Standard Normal Variate (SNV)
  • Multiplicative Scatter Correction (MSC) and Extended MSC
  • Orthogonal Signal Correction (OSC)




Easy data importing

In many statistical programs, getting data into software in a format that is usable can be the first hurdle, but it is easy in The Unscrambler® X. The software accepts data from a wide range of scientific instruments, ASCII and Excel, making importing easy. Includes:

  • Drag and drop data directly from Excel
  • Preview data and see preview plots to ensure it looks as expected
  • Works with most leading spectrometer data formats


Exceptional data visualization

Understanding complex data is easy with the excellent visualization tools in The Unscrambler® X. Patterns can be clearly shown, and individual samples or groups of data can be visualized from a number of perspectives. Produce publication standard plots which can be annotated as needed.

Includes:

  • The ability to see several plots on one screen simultaneously for easier interpretation
  • The option to rotate certain plots to see data from different angles
  • Annotate and add comments or lines to plots as required


For more information, please contact CAMO Software at www.camo.com  

Download a free trial at www.camo.com/products/download-trial.html

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