************************************************************ The Unscrambler® X ver 10.1 CAMO Software Nedre Vollgate 8, N-0158, Oslo, NORWAY RELEASE NOTES January 12, 2011 ************************************************************ This document provides information about The Unscrambler® X ver 10.1 The Unscrambler® 10.1 contains several enhancements and new features for data import and export, graphics, and Design of Experiments (DoE).These updates have been implemented post release of version 10.0.1. The Unscrambler® 10.1 is available in a 32-bit and a 64-bit version. What’s new in The Unscrambler® X ver10.1 =============================== The following briefly describe the updates made in version 10.1 Data Import ======== - The import of Excel data files did not always import all the columns from the Excel spreadsheet. This has been corrected. - ASCII files can be batch imported - U5 data can be imported into The Unscrambler®. Data Export ======== File writer capabilities have been added to enable the export of models into The Unscrambler® 9.8 format. This feature can be downloaded from our website www.camo.com Applicability ======== Corrections have been made to address several issues: - The axis labels in the influence plots in projection have been corrected to properly reflect the information plotted. - Predictions made with models that include the MSC transform on part of the columns did not give consistent results. This issue has been addressed. - Issues around the display of the correct sample names in the Coomans’ plot for classified samples using SIMCA have been resolved. - The info box for a PLS model did not always correctly reflect the validation method used. When full cross validation was used, the validation was displayed as having been random with 20 segments. - The compute general function does allow mathematical formulae with non-integer values. - Category variables can be copied and pasted. - The x-axis values can now be scaled based on the variable values - Compact, mini and micro models from previous versions of The Unscrambler® can be imported. Design of Experiments =============== Some changes have been made to how degrees of freedom are computed, relative to how this was done in previous versions. Corrections have been made to address several issues: - For experiments that include category variables, center points are defined for each level of the category variables. - Response surface plots have been improved. Overall Enhancements - The grid editor has been modified to give improved performance. Data that are generated in version 10.1 cannot be opened in previous versions of The Unscrambler® X. - Copy and paste and drag and drop have been implemented in the editor. - In defining ranges, one can now define the reverse selections of the selected rows(columns) by a single click - Prediction diagnostics per segment are available when a cross-validation other than full is used in developing PLS or PCR models - The quantile normalization function of median absolute deviation (MAD) has been added as a new transform - Q residual limits and Q residuals for samples are available within the results for predictions - The ability to save model files as smaller files for easier model file transportability has been added. - A user can set the number of components to save in a model file. - Defined ranges (row and column) can be copied and pasted into a matrix of the same dimensions. - The properties for category variables including the names and order of them can be changed. - In LDA, the ability to do an automatic PCA-LDA on sample sets with many variables has been added under the options for LDA. Several improvements in the graphics have been made including: - Plot legends are now presented according to the sample grouping used in a given plot - Users now have the ability to use sample grouping on 3-D scatter plots, and to more readily change the properties of 3-D plots - Sample grouping is now possible under all the relevant PLS results plots including the X-Y relation outliers, Y-residuals vs. predicted Y and Y-residuals vs. scores - With sample grouping, the groups in a plot can be separated by a symbol or a color, or both. - Greater flexibility in changing plot and axis scales and labels. - Additional options for the plot types have been added. Known Limitations in The Unscrambler® X ver 10.1 - Some issues still remain when calculating mixture designs with constraints, mainly due to summing of mixture amounts. ************************************************************ The Unscrambler® X ver 10.0.1 CAMO Software Nedre Vollgate 8, N-0158, Oslo, NORWAY RELEASE NOTES July 19, 2010 ************************************************************ This document provides information about The Unscrambler® X ver 10.0.1 The Unscrambler® 10.0.1 contains several enhancements for data import, graphics, Design of Experiments (DoE) and security updates.These updates have been implemented in response to customer feedback post first release of version 10.0.0. What's new in The Unscrambler® X ver 10.0.1 ================================ The following briefly describe the updates made in ver 10.0.1 Data Import ======== - GRAMS files with the `*.cfl` format can now be imported - Import of BFF4 spectral files from Brimrose SNAP 32! Ver 3.01 is supported - Import of `*.sp` and `*.spp` files from Perkin Elmer Spectrum software is supported Tutorials ====== Additional tutorials have been added to give users a quick start in using The Unscrambler® X The ability to mark evenly distributed samples in scores plots and other PLS results plots has been added Applicability ======== Several improvements in the graphics have been made including: - Sample grouping can be applied in 3-D plots - When a sample or variable has been marked in a plot, it can now be unmarked by clicking again - Sample grouping can be applied to DOE data plots, influence plots, and other plots as relevant - Plot names have been updated to Predicted vs. Reference (previously Predicted vs. Measured). - Data can be specified as spectra, thus showing loadings and regression coefficients results as line plots when relevant, by selecting a column set, right clicking and specifying spectra - The plots for PLS and PCA analysis are displayed with the optimal number of factors for the given model - Plots for PLS prediction are shown with the number of factors used in the model - Response surface plots have been updated - The Y axis in a plot can be changed by going to Properties Corrections have been made to address several issues: - Import of ASCII file format has been corrected - When models are developed on data that have an MSC or EMSC transformation applied, the transformation is registered and applied for predictions - The log transformation in Compute General works as expected - Issues related to incorrect variable names on import of OPUS files has been corrected Design of Experiments =============== Updates have been made to the Design of Experiments, with results confirmed with reference to D. C. Montgomery "Design and Analysis of Experiments" 6th ed. - ANOVA can be run when category variables are present in a design - Corrections have been made to the experiment names when a fractional factorial design is generated - Updates have been made to the Mixture design, and it has been modified so it can be done with 3 or more variables only - The x-axis labels in the B coefficient plots correctly reflect the variable names Known Limitations in The Unscrambler® X ver 10.0.1 ================================= - The OSC transformation has been modified, hence the old OSC model (from version 10.0) cannot be used as a registered pretreatment in prediction. ************************************************************ The Unscrambler® X ver 10.0.0 RELEASE NOTES April 10, 2010 ************************************************************ What's new in The Unscrambler® X ========================= Savitzky Golay Smoothing - This function has been slightly changed from previous versions of The Unscrambler®. The end points of the samples now keep the original data instead of filling with zeros. The Median Filter algorithm in The Unscrambler® v9.8 produced incorrect results. This has now been fixed, by taking the median value of point pairs less than the size of the window used. When applying a Gaussian Filter, the columns are shifted by 1 so that the peaks are not repositioned, as they were in The Unscrambler® v9.8. SIMCA in The Unscrambler®X is not calculated for full rank. The Varimax Rotation for PCA produced incorrect results in v9.8. This has been corrected in The Unscrambler® X. Kurtosis and Skewness values computed in The Unscrambler® v9.8 and earlier versions do not match with MS Excel or Matlab. The Unscrambler® now implements skewness and kurtosis with bias correction which is used in Microsoft Excel `skew()` and `kurt()` functions; Matlab functions `skewness(x,0)` and `kurtosis(x,0)`. In the first release of The Unscrambler® X, the import of 3-D data is not supported and neither is N-PLS. Sample grouping in 3D scatter plots is not available in the initial release. When a sample or variable is marked in a plot, it cannot be unmarked by clicking again. Some of the HCA distance measures like Spearman's are not identical with a test implementation validated in using an external source. Annotations and sample groupings of plots are not saved in a project. The recalculate option is not available in descriptive statistics. NIPALS incompatibility - In The Unscrambler® 9.8 and previous versions, the NIPALS algorithm has been implemented using two techniques. The NIPALS for calibration is different from the one used during prediction and classification. The Unscrambler® X uses single NIPALS algorithm for calibration, prediction and classification. In Unscrambler® v9.8 and previous, the square sum of scores includes test set samples. This is wrong. The square sum of scores should include only the calibration set and not the test set. This has been corrected in The Unscrambler® X The Analysis of mixture designs is now performed by the use of Scheffe polynomials instead of PLS, as in previous versions. The PLS option is still available. For the initial release of The Unscrambler® X, for category variables, only the multiple comparison results are provided as in 9.8. The real effect values will be provided in the next release. The handling of constraints has been improved in D-optimal designs. A wider range of operators is available. In The Unscrambler® 9.8 and previous versions, the definition of the design, response, uncontrollable variables was made in three different windows. This has been reduced to the Define Variables table in the Design Experiment Wizard. Method reference documentation is yet to be updated. System Requirements ============== for Standalone and Client * Windows 2003, XP (SP1 or higher), Vista, 2008, 7 or later * Processor: Pentium 233-megahertz (MHz) or higher * RAM: 1 GB minimum; higher is recommended * Hard disk space: 150 MB * .NET framework versions 2.0 to 3.5 * Internet Explorer 7.0 or higher for License Server * Windows 2003, XP (SP1 or higher), Vista, 2008, 7 or later * Processor: Pentium 233-megahertz (MHz) or higher * RAM: 1 GB minimum; higher is recommended * Hard disk space: 50 MB * Internet Explorer 7.0 or higher Installation ======= 1) Run The Unscrambler® X setup application & follow the setup wizard Double click "TheUnscramblerX_Setup.msi" file to start the installation wizard. The InstallShield Wizard for The Unscrambler® X is launched. Follow the on-screen instructions 2)Finish the Setup. When the setup is complete, Click 3) Start The Unscrambler® X from the Start menu 4) Step 4 : The Activation Wizard dialog opens. Click the button 5) After receiving The Unscrambler® X activation key, paste in Activate window and click on button OR Send “machine ID” from The Unscrambler® X Activation window along with your user name and E-mail address to support@camo.com. CAMO Support Team will send you The Unscrambler® X activation key. ************************************************************ For Support visit : http://support.camo.com ************************************************************ CAMO Software Research & Development Team