imported>Jeremy |
imported>Benjamin |
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| ==New Features in Solo and PLS_Toolbox== | | ===Purpose=== |
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| ===Model Optimizer Interface===
| | Reads CytoSpec .cyt files. |
| * Snapshot multiple model conditions to create modeling templates to build from new data all at once.
| | :Note: This importer is available in PLS_Toolbox/Solo Versions 8.6 and newer. |
| * Automatically create "combinations" of modeling conditions (including model type, method settings, preprocessing, cross-validation settings, and data include fields) then automatically build models from those conditions.
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| * Compare tables of results from all models to determine best modeling conditions.
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| * Push existing models into Optimizer from Workspace Browser or Analysis window's model cache for comparison or combinatorial mixing.
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| ===New/Improved Importers=== | | ===Synopsis=== |
| * [[gwscanreadr|Guided Wave Scan and Autoscan]] importer added
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| * [[jcampreadr|JCAMP importer]] significantly expanded in supported types
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| * [[pereadr|Perkin Elmer importer added
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| * [[opusreadr|Bruker OPUS]] importer added
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| * [[OPSClient|OPC client support]] through OPCclient object (PLS_Toolbox and Solo_Predictor only)
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| * [[xclreadr|"Streaming" text importer]] algorithm in text importer to allow reading of larger text files
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| * Improved memory and speed performance for text parsing
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| ===Plot Controls=== | | :out = cytospecreadr(file); |
| * Create histograms from any figure's content easily showing class overlap and more (right-click data and choose histogram from menu)
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| * Data selector toolbar to allows quick select+exclude/include as well as access to other selection tools like the search toolbar
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| * Improved peak finding with adjustable settings including labeling format, peak direction, and other algorithm settings
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| * Allow saving of individual settings as the default (by clicking on the disk icon to the right of the given option)
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| * Exported figures automatically resized for better appearance
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| ===Automatically Calibration / Validation Data Splitting=== | | ====Inputs==== |
| * Add ability to keep replicates together during the split | | * '''file''' = One of the following identifications of files to read: |
| * Add Kennard-Stone sample selection method | | :* A single string identifying the file to read |
| | :: ('example') |
| | :* A single element cell array containing a strings name of a file to read |
| | :: ({‘example’}) |
| | :* An empty array indicating that the user should be prompted to locate the file(s) to read |
| | :: ([]) |
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| ===New/Improved Preprocessing Methods=== | | ====Outputs==== |
| * Fluorescence EEM data filtering | | * '''out''' = A DataSet object containing the imported data. |
| * Perform simple arithmetic operations on variable(s) (also allows "masking" of variables)
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| * Subtract Reference Sample (fixed background correction)
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| * Ratio to Reference Sample (relative signal correction)
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| * Gap Segment Derivatives
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| * Automatic Baseline Subtraction methods split into Whittaker and Weighted Least Squares
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| * Enable better handling drag/drop of data in Browse; Modify data by simply dragging it to Preprocess shortcut
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| ===Analysis=== | | ===See Also=== |
| * MCR panel to access commonly used constraints added
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| * PARAFAC added Split Half model testing to Analysis toolbar
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| * SIMCA can base classifications and probabilities off t2, q, both, or combined statistics
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| * Model Cache has improved behavior for handling old cache contents and upgrading model caches from version to version.
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| * Selectivity ratio confidence limits now shown on loadings plots
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| ==New Command-line Features and Functions==
| | [[Data Importing Formats]], [[hjyreadr]], [[aqualogreadr]], [[jascoeemreadr]], [[jcampreadr]], |
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| | [[spcreadr]], [[writespc]], [[xclreadr]] |
| ===Command-line Tool Changes===
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| * [[correctbias]] -allow correction of a model based on measured and predicted y-values (rather than measured y and corresponding spectra which have to have predictions made from them)
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| * [[glsw]]
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| **added options.downweight
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| **add documentation for new options (xgradient, maxperclass, downweight)
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| * [[flucut]]
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| **Changed flucut to allow for Rayleigh
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| **Added possibility of doing blank subtraction in the options of flucut (and changes Raman option names in the options structure)
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| * [[crossval]]
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| ** add bias and R^2 outputs for calibration data as: cbias and r2c
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| ** grab bbr outputs from 'apply' function (in case a method wants to modify it and pass back some item
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| ** add r2c and cbias to help
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| ** Fix for miscalculated RMSEP (for test data) when preprocessing methods require excluded data (such as derivatives and smoothing). This bug only effected the RMSEP as a function of LVs as calculated in the model during cross-validation. It had no impact on the RMSEP calculated for the prediction, which was always correct.
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| ** don't allow PCA cross-validation to actually reach the total number of variables minus one (because we've actually lost one variable due to leave-out). Avoids RMSECV dropping down when it reaches the total number of variables.
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| * [[exportfigure]] -add ability to resize fonts and figure size for powerpoint or word exports
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| * [[plotgui]]
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| ** add new logic to avoid putting points at the edges of plots
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| ** add statistics of selected samples to Class Statistics (when samples are selected)
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| ** add points in sequence ('sequence') connect method into connect classes menu
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| ** added "maximumdatasummary" option to control how many items are allowed to be shown in the Data Summary > Data mode (default is 1000)
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| ** add notice about data being culled from data summary
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| ** add more logic to showtempnotice callback which will allow multiple temp notices (stacked on top of each other)
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| ** add "viewpixelscale" option to show axisscales on images even when no imageaxisscale is set
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| ===Misc New Functions===
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| * [[histaxes]] -add new function to create nice looking histograms from any figure's content
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| * [[wsmooth]] -Whittiker smoother
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