Release Notes Version 7 3 and Evri faq: Difference between pages

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==New Features in Solo and PLS_Toolbox==
__TOC___
==Importing / Exporting==


===Model Optimizer Interface===
[[faq_concatenate_multiple_files|How do I concatenate multiple files into a single DataSet?]]
* Snapshot multiple model conditions to create modeling templates to build from new data all at once.
* 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.
* Compare tables of results from all models to determine best modeling conditions.
* Push existing models into Optimizer from Workspace Browser or Analysis window's model cache for comparison or combinatorial mixing.


===New/Improved Importers===
[[faq_create_multivariate_image_from_separate_images|How do I create a multivariate image from separate images?]]
* [[gwscanreadr|Guided Wave Scan and Autoscan]] importer added
* [[jcampreadr|JCAMP importer]] significantly expanded in supported types
* [[pereadr|Perkin Elmer importer added
* [[opusreadr|Bruker OPUS]] importer added
* [[OPSClient|OPC client support]] through OPCclient object (PLS_Toolbox and Solo_Predictor only)
* [[xclreadr|"Streaming" text importer]] algorithm in text importer to allow reading of larger text files
* Improved memory and speed performance for text parsing


===Plot Controls===
[[faq_export_PCA_scores_and_loadings_to_text_file|How do I export PCA scores and loadings to a text file (to read into MS Excel, for example)?]]
* Create histograms from any figure's content easily showing class overlap and more (right-click data and choose histogram from menu)
* Data selector toolbar to allows quick select+exclude/include as well as access to other selection tools like the search toolbar
* Improved peak finding with adjustable settings including labeling format, peak direction, and other algorithm settings
* Allow saving of individual settings as the default (by clicking on the disk icon to the right of the given option)
* Exported figures automatically resized for better appearance


===Automatically Calibration / Validation Data Splitting===
[[faq_import_three-way_data|How do I import three-way data into Solo or PLS_Toolbox?]]
* Add ability to keep replicates together during the split
* Add Kennard-Stone sample selection method


===New/Improved Preprocessing Methods===
[[faq_import_horiba_NGC_64bit |Why can't I import a Horiba NGC file on my 64-bit computer?]]
* Fluorescence EEM data filtering
* Perform simple arithmetic operations on variable(s) (also allows "masking" of variables)
* Subtract Reference Sample (fixed background correction)
* Ratio to Reference Sample (relative signal correction)
* Gap Segment Derivatives
* Automatic Baseline Subtraction methods split into Whittaker and Weighted Least Squares
* Enable better handling drag/drop of data in Browse; Modify data by simply dragging it to Preprocess shortcut


===Analysis===
[[faq_SPCREADR_cant_read_multiple_files |Why can't SPCREADR read multiple files I've selected?]]
* MCR panel to access commonly used constraints added
* PARAFAC added Split Half model testing to Analysis toolbar
* SIMCA can base classifications and probabilities off t2, q, both, or combined statistics
* Model Cache has improved behavior for handling old cache contents and upgrading model caches from version to version.
* Selectivity ratio confidence limits now shown on loadings plots


==New Command-line Features and Functions==
[[faq_some_EXCEL_files_fail_to_import |Why do some Excel files fail to import?]]
===Command-line Tool Changes===
* [[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)


* [[glsw]]
==General==
**added options.downweight
**add documentation for new options (xgradient, maxperclass, downweight)


* [[flucut]]
[[faq_PARALIND_in_PLS_Toolbox |Can I do PARALIND in PLS_Toolbox?]]
**Changed flucut to allow for Rayleigh
**Added possibility of doing blank subtraction in the options of flucut (and changes Raman option names in the options structure)


* [[crossval]]
[[faq_install_on_more_than_one_PC | Can I install PLS_Toolbox (or Solo) on more than one PC, such as on my desktop and laptop computer?]]
** add bias and R^2 outputs for calibration data as: cbias and r2c
** grab bbr outputs from 'apply' function (in case a method wants to modify it and pass back some item
** add r2c and cbias to help
** 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.
** 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.


* [[exportfigure]] -add ability to resize fonts and figure size for powerpoint or word exports
[[faq_multiple_class_sets_together_in_SIMCA_PLSDA_LDA | Can I use multiple class sets (categorical variables) together in a SIMCA, PLSDA, or LDA model?]]


* [[plotgui]]
[[faq_more_info_on_R_Squared_statistic | Can you give me more information on the R-Squared statistic?]]
** add new logic to avoid putting points at the edges of plots
** add statistics of selected samples to Class Statistics (when samples are selected)
** add points in sequence ('sequence') connect method into connect classes menu
** added "maximumdatasummary" option to control how many items are allowed to be shown in the Data Summary > Data mode (default is 1000)
** add notice about data being culled from data summary
** add more logic to showtempnotice callback which will allow multiple temp notices (stacked on top of each other)
** add "viewpixelscale" option to show axisscales on images even when no imageaxisscale is set


===Misc New Functions===
[[faq_how_RMSEC_and_RMSECV_related to R2Y_and_Q2Y_seen_other_software | How are RMSEC and RMSECV related to R2Y and Q2Y I see in other software?]]


* [[histaxes]] -add new function to create nice looking histograms from any figure's content
[[faq_convergence_of_PARAFAC| Convergence of PARAFAC. How much variation between models is expected a particular PARAFAC is fit multiple times with the same settings?]]
* [[wsmooth]] -Whittiker smoother
 
[[faq_does_software_stop_working_if_maintenance_expires | Does the software stop working if my maintenance expires?]]
 
[[faq_report_a_problem_with_PLS_Toolbox | How and where do I report a problem with PLS_Toolbox?]]
 
[[faq_how_are_T_contributions_calculated | How are T-contributions calculated?]]
 
[[faq_how_are_ROC_curves_calculated_for_PLSDA | How are the ROC curves calculated for PLSDA?]]
 
[[faq_how_are_error_bars_calculated_regression_model | How are the error bars calculated for a regression model and can they be related to a confidence limit (confidence in the prediction)?]]
 
[[faq_improve_performance_with_PLS_Toolbx_and_Matlab_on_Mac | How can I improve performance with PLS_Toolbox and Matlab on the Mac platform?]]
 
[[faq_assign_classes_for_samples_in_a_DataSet | How do I assign classes for samples in a DataSet?]]
 
[[faq_build_a_classification_model_from_class_set_other_than_the_first | How do I build a classification model from a class set other than the first?]]
 
[[faq_choose_between_different_cross_validation_leave_out_options | How do I choose between the different cross-validation leave-out options?]]
 
[[faq_reference_Eigenvector| How do I cite/reference Eigenvector?]]
 
[[faq_interpret_ROC_curves_and_Sensitivity_Specificity_plots_from_PLSDA | How do I interpret the ROC curves and Sensitivity / Specificity plots from PLSDA?]]
 
[[faq_make_DataSet_backwards_compatible | How do I make a DataSet backwards compatible?]]
 
[[faq_obtain_or_use_recompilation_license_for_PLS_Toolbox | How do I obtain or use a recompilation license for PLS_Toolbox?]]
 
[[faq_use_custon_cross_validation_option | How do I use the "custom" cross-validation option?]]
 
[[faq_out_of_memory_error_when_analyzing_data | I keep getting "out of memory" errors when analyzing my data. What can I do?]]
 
[[faq_java_lang_OutOfMemoryError| What can I do if I get a java.lang.OutOfMemoryError error?]]
 
[[faq_why_get_negative_scores_when_all_modes_are_set_to_nonnegativity | Nonnegativity (PARAFAC, PARAFAC2, Tucker): Why do I get negative scores when all modes are set to nonnegativity?]]
 
[[faq_what_are_relative_contributions | What are "Relative Contributions"?]]
 
[[faq_what_are_reduced_T^2_and_Q_Statistics | What are the "Reduced" T^2 and Q Statistics?]]
 
==Command Line==
==Manual==
==GUI==
==Installation==
 
 
 
 
 
 
 
[[Category:FAQ]]

Revision as of 14:25, 29 November 2018

_

Importing / Exporting

How do I concatenate multiple files into a single DataSet?

How do I create a multivariate image from separate images?

How do I export PCA scores and loadings to a text file (to read into MS Excel, for example)?

How do I import three-way data into Solo or PLS_Toolbox?

Why can't I import a Horiba NGC file on my 64-bit computer?

Why can't SPCREADR read multiple files I've selected?

Why do some Excel files fail to import?

General

Can I do PARALIND in PLS_Toolbox?

Can I install PLS_Toolbox (or Solo) on more than one PC, such as on my desktop and laptop computer?

Can I use multiple class sets (categorical variables) together in a SIMCA, PLSDA, or LDA model?

Can you give me more information on the R-Squared statistic?

How are RMSEC and RMSECV related to R2Y and Q2Y I see in other software?

Convergence of PARAFAC. How much variation between models is expected a particular PARAFAC is fit multiple times with the same settings?

Does the software stop working if my maintenance expires?

How and where do I report a problem with PLS_Toolbox?

How are T-contributions calculated?

How are the ROC curves calculated for PLSDA?

How are the error bars calculated for a regression model and can they be related to a confidence limit (confidence in the prediction)?

How can I improve performance with PLS_Toolbox and Matlab on the Mac platform?

How do I assign classes for samples in a DataSet?

How do I build a classification model from a class set other than the first?

How do I choose between the different cross-validation leave-out options?

How do I cite/reference Eigenvector?

How do I interpret the ROC curves and Sensitivity / Specificity plots from PLSDA?

How do I make a DataSet backwards compatible?

How do I obtain or use a recompilation license for PLS_Toolbox?

How do I use the "custom" cross-validation option?

I keep getting "out of memory" errors when analyzing my data. What can I do?

What can I do if I get a java.lang.OutOfMemoryError error?

Nonnegativity (PARAFAC, PARAFAC2, Tucker): Why do I get negative scores when all modes are set to nonnegativity?

What are "Relative Contributions"?

What are the "Reduced" T^2 and Q Statistics?

Command Line

Manual

GUI

Installation