Release Notes

PLS_Toolbox version 4.1 includes a number of new tools in our graphical interface as well as new powerful command-line functionality. Ease-of-use flowcharts and ModelSense information help guides you through the steps necessary to build and investigate multivariate models. New graphical tools help you visualize and understand the data. The following is a list of significant changes in Version 4.1 of PLS_Toolbox. The [Show me!] link which follows some items will send you to a page detailing the new feature!

Topics

• Graphical Interface Changes
• High-Level Function Changes
• New Importing Features and Changes
• DataSet Object Changes
• Low-Level Function Changes
• New Programming Tools
• New Function Summary

In addition to the listed changes, Version 4.1 also includes a number of bug fixes and general usability improvements which are not listed. If you have specific questions, please direct them to helpdesk@eigenvector.com

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Analysis / Workspace Browser

New "flowchart" to guide user through standard model building procedures. [Show me!]

New ModelSense alerts to advise when possible modeling issues exist. [Show me!]

Enable use of new DataSet object feature allowing text-based classes. [Show me!]

Shortcuts visible in Workspace Browser can be customized. [Show me!]

Default preprocessing can now be set through setplspref and preferences expert (see options for analysis function).

Add support for reduced metrics in PCA (See options for plotscores_pca).

Plot Controls (plotgui)

Right-click data to view quantile-quantile plot of data (fit distribution to data) [Show me!]

Right-click on data to exclude/include and change class of plotted items.

Confidence ellipses around classes (via View/Classes/Connect Classes menu) [Show me!]

Can now plot "number missing" in data summary mode to show how many are missing in the specified item.

Selection "Tools" button makes it easier to switch selection tools.

Right-click label to remove from plot.

Improved zoom logic (recognize when only y or x needs to be unzoomed - leave other axis as-is).

Selection of points in 3D plots and other previously unsupported formats.

Automatic y-scale of data puts all selected items on a normalized y-scale for ease of viewing.

Right-click on y-axis menu option to automatically choose (and plot) all items in the list that are in a given class.

Improved help while using selection tools.

Preprocess

Enable resizing of window.

Improved plot display and updating.

Added support for EMSC (if owned).

Figbrowser 

Added Auto Dock menu item. When enabled, user figures are automatically "docked" in Figures window. Allows all-figures-in-one-window interface.

Added "Figbrowser on all" menu option. Allows disabling/enabling of figure browser menus on user figures.

General

Many GUIs now allow for double-clicking to get default behavior (see Preprocess and Analysis GUIs)

CaltransferGUI

New GUI to simplify calibration transfer operations using a single interface (see also the new caltransfer function)

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pls, pcr, mlr

Added calculation of bias. Bias is stored in model structure in field: model.detail.bias

Allow choice of confidence limit for Q and T^2 limits stored in model. Also, a value of 0 (zero) for confidence limit skips confidence limit calculation (allows speedup of model calculation)

ipls

Modified output format to include additional information.

Improved display of excluded regions in plots.

Allow stepwise MLR and stepwise PCR as algorithm options.

glsw

Allow limiting of maximum PCs (default = 50). Decreases model size.

Allow updating of a (alpha) in model using modl = glsw(model,a) avoids having to recalculate model using original data when only the alpha needs to be changed.

Trigger "gradient" method based on number of unmatched y-values. Simplifies calls.

knn

Added output and input of model structure to KNN (when no test data passed in). Allows easy application to new data.

caltransfer

New command-line function to simplify calibration transfer operations using a single interface (see also the new caltransferGUI).

batchdigestor 

New command-line function to processes semiconductor wafer (or similar batch-type) data for MPCA or Summary-PCA analysis. Steps user through the selection of how to break the data down into batches / wafers and specifying the type of output needed by the user.

ms_bin

Bins Mass Spectroscopy data into user-defined bins. Allows downsampling of high-resolution Mass Spectroscopy data.

cluster

added improved class handling and legend capability

autoimport

New function for single-point-of-entry to import any readable file. Called from GUIs or at command line using:
x = autoimport;
x = autoimport('filename');
x = autoimport('file_type');

Includes support for passing of XML or plain text or 'clipboard' keyword (to paste from clipboard)

Allow passing in of "dir" structure:  autoimport(dir('*.csv'))

jcampreadr

add for basic support of reading jcamp files

xyreadr

added as XY import method

querydb

Add SHOW TABLES type call for Access DBs.

Classid: Classes can now be assigned and returned as strings using the "classid" synonym field (used in place of "class" field). Internally, classes are still stored numerically, but you can now associate string descriptors with classes. These strings can be used to assign classes and can be retrieved as strings using .classid field of the DataSet object. In addition, you can access a "lookup table" of class numbers and their respective strings using x.classlookup{mode,set} command. These strings will be increasingly used by PLS_Toolbox and Solo and are already used by the main plotting interfaces.

Allow subscripting into DSO using labels or class names. At the MATLAB command line, you can index into a DataSet object using the column or row (or n-dim) labels. For example, you can extract a single sample from a DataSet by just giving the name of the DataSet followed by .samplename where samplename is the label for the desired sample. An example using the "Arch" DataSet follows:

    load arch

    arch.s2    %extract SAMPLE "s2" from the arch DataSet object

    arch.k     %extract the VARIABLE "k" from the arch DataSet object

Note that this indexing will only work when labels do not contain spaces and when they do not conflict with other generic DataSet field names.

Axistype: not used within PLS_Toolbox or Solo yet, but this field allows you to define an axis "type" to be one of {'none' 'continuous' 'stick' 'discrete'}. Future use includes automatic selection of plot style based on this setting.

Added overload support for: disp  double  isempty  numel  single  sortrows  unique

coreanal

Modified coreanal plot to show sign of core elements

replace

added less memory-intensive method for variable replacement

reviewmodel

 added new function: tests for typical model failures

plotqq

added menu to plot to switch distribution types

added "automatic" mode (uses distfit to determine the best-fit distribution)

comparevars 

Added and general-use programming tool (similar to Matlab "isequal" function)

deptree

added as programming/debugging tool

Eigenvector Research, Inc., 3905 West Eaglerock Drive, Wenatchee, WA 98801
B.M. Wise, bmw@eigenvector.com, Phone: 509.662.9213, Fax: 509.662.9214
N.B. Gallagher, nealg@eigenvector.com, Phone: 509.687.1039