The Unscrambler® X v10.5.

1
Release Notes

CAMO SOFTWARE AS
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Tel: (47) 223 963 00
Fax: (47) 223 963 22
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The Unscrambler® X v10.5.1 - Release Notes

Copyright

All intellectual property rights in this work belong to CAMO Software AS. The information contained in this
work must not be reproduced or distributed to others in any form or by any means, electronic or
mechanical, for any purpose, without the express written permission of CAMO Software AS.

Copyright © 2018 CAMO Software AS. All Rights Reserved

All other trademarks and copyrights mentioned in the document are acknowledged and belong to their
respective owners.

Disclaimer

This document has been reviewed and quality assured for accuracy of content. Succeeding versions of this
document are subject to change without notice and will reflect changes made to subsequent software
version.

Last Updated: 2018-05-22

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The Unscrambler® X v10.5.1 - Release Notes

Contents
Scope ................................................................................................................................... 4
Introduction ......................................................................................................................... 4
Main Changes ..................................................................................................................... 5
Known Issues ...................................................................................................................... 7

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The Unscrambler® X v10.5.1 - Release Notes

Scope
This document lists the main changes and known issues for The Unscrambler® X v10.5.1

Introduction
The Unscrambler® X v10.3 and earlier versions had their own Design of Experiments (DOE)
module, including features for setting up and analyzing experimental designs. Recently CAMO
Software AS went into a partnership with Stat-Ease, Inc., provider of the Design-Expert®
software. Since The Unscrambler® X v10.4 the previous DOE module has been removed and
replaced with a link to the Design-Expert® (DX) software, enabling Unscrambler® X users access
to the full range of powerful features within DX. The Unscrambler® X v10.5.1 comes with DX
version 11.

The initial bundling of the two software products is basic. An instance of DX will open every time
the user attempts to create a design from within The Unscrambler® X. The design itself is
created in DX and can be analyzed there, and the saved design file can also be imported back
into The Unscrambler® X for multivariate analysis. An imported design in The Unscrambler® X
can also be modified or extended, in which case the current design will be loaded directly into
DX.

An even closer integration of the two programs is planned for the future. For instance methods
for multivariate optimization are planned in The Unscrambler® X to fully benefit from applying
multivariate methods on designed data.

New features and main changes in The Unscrambler® X v10.5.1 are described in the next
section.

These release notes apply to all products of The Unscrambler® X listed below:

 The Unscrambler X v10.5.1 (32-bit/64-bit)

 The Unscrambler X v10.5.1 Client (32-bit/64-bit)
 The Unscrambler X v10.5.1, Japanese (32-bit/64-bit)
 The Unscrambler X v10.5.1 Client, Japanese (32-bit/64-bit)

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The Unscrambler® X v10.5.1 - Release Notes

Main Changes
New features in version 10.5.1 are described here. Refer to the help documentation of the
installed software (Help – Contents) for the full changelog including changes for versions 10.5
and earlier.

Design-Expert® version 11
 Integrated with version 11 of the Design-Expert® software

Import
 JCAMP-DX: Removed version control such that any files of supported data types can be
imported.
 JCAMP-DX/Perten-DX: Fixed incorrect handling of scientific format in compressed form.
Fixed incorrect range in info box of imported matrix.
 OPUS: If both original and transformed absorbance blocks are found in a file, the
transformed block will be imported.
 NetCDF: Added support for data types NC_BYTE and NC_SHORT.
 Guided Wave NIRO JSON: Reference values not required in file. Updated response
variable column headers. Import of files with different response variable names into
same matrix. Spectra imported as a spectral column set. Updated to use consistent info
box after drag and drop of files into project.
 Class-PA & SpectrOn: Updated response variable column headers. Import of files with
different response variable names into same matrix. Column sets added after drag and
drop of files into project.
 GRAMS: Added validation of response variable names during multiple file import.
Allowed simultaneous import of files with different number of points or start/end values
using the interpolate option. Modified the interpolate function to read original header
from file and not assume equal x-axis increments.

Transforms
 Savitzky-Golay Smoothing/Derivatives: A change was introduced with v10.5 that could
give slightly different results for some data compared to previous versions. This change
has been reverted. Number or left and right smoothing points in range 0-50 allowed,
unless limited upwards by number of variables.
 Savitzky-Golay Smoothing: Polynomial orders in range 0-5 allowed. Symmetric window
required for polynomial order of 0.
 Savitzky-Golay Derivative: Polynomial orders in range 1-5 allowed, unless limited
downward by derivative order. Symmetric window required for polynomial order same
as derivative order.
 MSC/EMSC: When applying existing model, a new model node will not be returned in
navigator. Fixed issue that incorrect centering was used when applying MSC model with
‘Common offset’ correction.
 Reduce (Average): Average samples returned in the order of the samples in the original
data.

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The Unscrambler® X v10.5.1 - Release Notes

Analysis and prediction

 The values of some residual types of projected PCA, PCR or PLSR models set to missing
when model rank equals number of variables.
 Sample/Variable Outliers for PCA, PCR and PLSR not returned for component 0.
 F-Residual Limits for PCA, PCR and PLSR calculated using number of calibration samples
degrees of freedom. Different degrees of freedom were used for test set and leverage
validated models previously.
 Fixed wrong Sample Outliers matrix based on Q-Residual tests in cross-validated PCA,
PCR and PLSR models.
 Removed all Sample/Variable Outlier tests that were specific for the Validation models
of PCA, PCR and PLSR.
 Moving Block Methods: Modified F-test from rejecting processes that are decreasing in
variance to reject both increasing and decreasing variances. Fixed incorrect variance
estimates for single variable inputs.
 Spectra with one or more missing values are kept out automatically from MCR.

General
 General enhancements and bugfixes.

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The Unscrambler® X v10.5.1 - Release Notes

Known Issues
ID Description Workaround
193: Dialog control If the screen settings option ‘Use Windows XP Switch to Windows 7 or
issues using style scaling’ is checked, screen magnification later and avoid XP
magnification on (DPI) settings should be set to 100%. Larger settings in order to use
Windows XP style magnifications will cause dialog controls and higher screen
scaling. text to be overlapping or hidden. (Note that magnification.
the Windows XP operating system is no longer
supported.)
644: Freeze during When very many data points (e.g. 1-100 If this happens, the
Copy/Copy All. million, depending on computer specs) are keyboard combination
plotted, application may freeze when using ALT+PRINTSCREEN can
the right-click Copy or Copy All functions. be used instead.
645: Relative When auto-pretreatments are applied during To be on the safe side,
indexes during prediction, Unscrambler will attempt to map you can let the matrix
prediction. the variables using relative indexes. The with prediction data
following number of variables in prediction have the same column
data are allowed: dimension as the
- Same number as number of original pretreatment matrix
pretreatment variables. (i.e. column 1 is same in
- Same number as the difference both matrices,
between max and min pretreatment irrespective of actual
index. input range).
- Same number or more than max
pretreatment index.

While this logic will handle many scenarios, it

is still possible to make mistakes. For instance
if same number or more than the required
number of variables are specified during
prediction, then pretreatment range relative
to the first column will be assumed. If this is
not the case, prediction will be allowed but
results will be wrong.
731: Fractions of With date-time format it is possible to display None.
seconds not fractions of seconds using for instance the
supported when encoding yyyy-MM-dd HH:mm:ss:fff, where fff
changing is the fraction. While this works for imported
timestamp or data, changing the timestamp will result in
duplicating matrix. fractions being set to 000. The same will
happen if a matrix is duplicated.

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The Unscrambler® X v10.5.1 - Release Notes

1375: Toggle issues There is an issue in Numerical view of plots Do not toggle off Cal or
with marking in with Cal/Val or X/Y toggles that can both be X in these cases. This
numerical view of toggled on at the same time. This affects issue does not exist in
plots. Tasks—Analyze—PCA/PCR/PLSR: Graphical view.

- For test set validated models, if both

Cal and Val samples are marked, then
Cal button is toggled off and on again,
Cal marking will be lost.
- If both X and Y loadings are marked,
then X button is toggled off and on
again, X variable marking will be lost.
1742: Unique When opening or importing models created in The right-click function
headers using an earlier version of The Unscrambler, any ‘Split Text Variable’ and
models from non-unique or missing row or column-headers separate by ‘#’ can be
previous versions. will be updated automatically and with a used to create new
warning. columns with original
sample name and
replicate numbers if
required.
2220: Import of Because we use 32-bit components for some None.
some formats in import formats, there are some minor issues
64-bit version. with Unscrambler (v9.8 and earlier), GRAMS,
Varian and PerkinElmer import in 64-bit
Unscrambler X:
- Previous import path not
remembered in dialog.
- Some warning dialogs (including the
unique header warning) not given.
- Quick access to help menu using F1 or
?-button not working.
- Audit trail not updated after drag and
drop of files into project.
- Import dialog always on top, possibly
on different monitor than main
window.
2236: Deprecated Because the outlier detection and reporting Models should be
Outlier Warnings has undergone changes since earlier versions, recalculated to benefit
and Outlier List the Outlier Warnings and Outlier List nodes from the new outlier
nodes. have become obsolete since v10.4. Whenever detection and reporting
a model containing these nodes are opened or functionality.
imported, these nodes will be deleted from
the models with a warning.

If it is important to retain these models as

they are for future reference, care must be
taken not to overwrite the old project files
with the current version.

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The Unscrambler® X v10.5.1 - Release Notes

2465: Issues - Some user interface elements may not be Do not apply ClearType
relating to displayed correctly if some custom display settings in
Windows 10 or Windows ClearType display settings are Windows 10 and related
later. set systems.
- Rendering of plot windows looks incorrect
during resizing of plots.
2466: Wrong There were cases of incorrect metadata given If a model is
metadata in v10.1 in models such as PLSR or SIMCA created in recalculated in current
and earlier models. v10.1 or earlier. When opened in v10.4, this version, most of these
may result in issues such as wrong tooltip issues will be resolved. If
indices or missing plots. Some caution is not, the model should
therefore required when using old models. be re-created from
scratch.
2517: Restricted In test set validated PCA, PCR and PLSR None.
sample grouping of models, sample grouping of validation
test set samples. samples is restricted to 2D scatter plots (such
as Scores or Predicted vs. Reference), and only
if:
- Model input and test data are from
same data matrix.
- Model input and test data are not
overlapping.
- External Variable option is used for
sample grouping.
2603: Marking in There is an issue for all methods with If marking in numerical
numerical view recalculate options that sample marking in view, switch back to
and recalculating Numerical view of plots is not directly graphical view before
recognized during recalculate. recalculating.
4626: PerkinElmer The external PerkinElmer libraries are When starting The
import sometimes sometimes prevented from running due to Unscrambler® X, right
not working User Account Control settings. click and “Run as
Administrator”.

If the above is not

feasible, it appears that
copying the Perkin
Elmer libraries from
C:\ProgramFiles(x86)\Co
mmonFiles\PerkinElmer
to a different path and
manually registering it
(regsvr32) may also fix
the problem.
5703: Bias and During Prediction, Bias and Slope Correction is None. Bias and Slope
Slope correction disabled unless Y-reference data are provided. Correction cannot
requires response currently be performed
data during if reference data are not

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The Unscrambler® X v10.5.1 - Release Notes

prediction available.
5791: MBM Moving Block models created and saved in Recreate in v10.4 or
compatibility v10.3 are not compatible with v10.4 and later. later.
6398: Wide-Kernel The Wide-Kernel algorithm for PLS was Select NIPALS or Kernel
PLS algorithm is originally included to perform better than the algorithm. The Wide-
inefficient other options for input data with relatively Kernel option may be
many more variables than samples. This is no removed in a future
longer the case in recent versions. version.
7668: Sample In raw data 2D scatter plots with sample Update the setting
Grouping point grouping, the point label is defined in the directly in the Sample
label overrides the Sample Grouping dialog. This will not update if Grouping dialog, or
Properties point changing the value later in the plot Properties toggle off Sample
label dialog. Grouping.
7940: 2-level In PCA, PCR and PLSR, 2-level category Switch to NIPALS
category variables variables are allowed as descriptors. If such algorithm, which can
in PCA, PCR and category variables contain empty/unassigned handle missing values.
PLSR levels, these are not recognized as missing
values. Attempting to analyze such data using
an SVD or Kernel-based algorithm will result in
a ‘low rank’-warning and a model will not be
created.
8129: Out of Changes have been made to use more Upgrade to 64-bit, or
memory with 32- available CPU during cross-validation of PCA, change the validation or
bit version PCR and PLSR. A side effect is that more the size of the input
memory is used during calculations. This may data.
in some cases give out-of-memory crashes in
the 32-bit version.
11481: Marking Line plots can be viewed as bar plots or Marking in unfolded
issues in sample stacked bar plots. After sample grouping, view will be updated
grouped line plots marking might not update correctly in these correctly after switching
relating to bar plot views. to numeric view and
view back to graphical view.
When a single variable is sample grouped and
plotted in folded view as bars or stacked bars, Marking in folded view
the wrong bars may be highlighted as marked. will be correct when
viewed as Line plot.
11630: Day-month Dates are converted from data type Text to A possible workaround
order when Date-time when changing column type, when is:
parsing dates pasting text into a Date-time column and 1. Change system
when Sample Alignment uses text headers as settings
time-stamps. The date is parsed according to 2. Restart The
current system settings. Unscrambler
3. Add a Date-time
Wrong parsing may occur if text and system column
settings use different order of day and month. 4. Copy the time-
E.g. text may be given as en-GB (dd/MM/yyyy) stamps (Text) to the
and system settings may be set to en-US column

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The Unscrambler® X v10.5.1 - Release Notes

(M/d/yyyy) or vice versa. This will result in 5. Save the project

parsing error or wrong date. 6. Close The
Unscrambler
7. Revert the system
settings changes
11843: Invalid file Import of some files in .xlsx format may fail Open the file in MS
warning during due to use of non-supported formatting. Excel and save as .xls.
Excel import

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