Spectrum Release Notes

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Spectrum Standard version (std) and Spectrum ES v10.7.

2
Release Notes
About This Document
This document provides the following information about Spectrum v10.7.2:
1. An Introduction to Spectrum
2. Limitations and Known Issues

1. An Introduction to Spectrum
Spectrum v10.7.2 is an IR Spectroscopy software package, created for 32 bit and 64 bit
environments in Microsoft Windows 10. It is designed to be easy-to-use, easy-to-learn, flexible
and productive for IR spectroscopy capture and analysis.

ES support provides the following features:


• Audit trail for all actions performed within the software. All actions performed, data
collected and processed and numerical results generated in a login session (i.e., the time
between login and logout) are stored as a ‘workspace’ in a database. The audit trail for
these workspaces can be viewed and ‘old’ workspaces can be opened to examine the data
and results generated.
• A separate audit trail is generated for any login security administration tasks and this also
includes login/logout information.
• Features accessible to users can be restricted within the software by controlling the
permissions associated with security groups.
• Electronic signatures can be controlled and if necessary disabled within the software
according to the required operation of the software.
• All data are stored securely inside a database as well as being saved onto external folders
according to the configuration of the software. Any stored spectral files and reports are
checksummed to detect tampering. Please note that data are stored into the database
immediately but are not saved to external folders until the data have been signed for.
• Workspaces, equations and macros can be reviewed and approved by users with the
appropriate permission. Once an equation or macro has been approved it cannot be
modified further.
Spectrum Revisions Summary

Spectrum v10.7.2
New Features and Improvements in Spectrum v10.7.2
• Fast scan:Fast scan is primarily used in fast kinetics studies. Frontier and Spectrum 3
instruments can support three new kinds of interferogram (Igram) processing: Fast, Faster,
Fastest by connecting with an additional Fast scan electronics board. Normal is the
default setting. Fast spectral aquisition capability is up to ca 100 spectra/sec. There are 4
types of igram processing modes. See user guide for further information
• Fast scan triggers: Fast Scan trigger capability is provided using additional Fast scan
trigger box which includes Trigger Input, Input/Output 1 and 2, Analogue Inputs1 and 2.
• Search Library Creator: Search library Creator Utility added to the Spectrum Install. It
will allow the user to create library folder spl files from single sp spectra in a single
directory.
• Cloud connectivity(NetPlus): “Publishing” feature in web application is added to
support publishing Spectra, equations, macros, report templates, instrument setups,
sample table setups, search libraries and quant methods to one or more specified PCs.
• Spectrum 3 FT-IR Evolved Gas Analyzer (EGA) Accessory: The EGA accessory is
controlled by Spectrum software providing the user with simultaneous IR and weight loss
data on the sample as it is heated supported by Spectrum 10. The accessory is
automatically recognised upon insertion and the i-button contains the relevant default
instrument setup to be loaded.

Significant Bug fixes in Spectrum 10.7.2


• Error time is displayed in report templates. Now fixed. SPECIR-636
• Fix the issue of Touch methods not supporting HTM temperature control. SPECIR-922
• Fix an inconsistency with reporting actions of moving data traces in the virtual "Recycle
Bin" folder in the software Data Explorer tab. SPECIR-920
• Sp10 Compare function does not work for spectra acquired with microns as abscissa units.
Now fixed. SPECIR-518
• Peak Table Decimals Rounded to 1/100th Regardless the Number of Significant Figures
Set and Displayed by Peak Label in Graphs. Now fixed. SPECIR-516
• Fix the issue of not tracking user group permission change in audit trail. [ES ]
SPECIR-936
• Fix the exception issue of deleting spectra after mean calculations. SPECIR-955
• Fix the issue of not able to create global macro in [ES] version. SPECIR-956
• Provide user the ability to create audit trail database manually [ES]. SPECIR-917
• Fix the issue of signature point along the macro not working when using window login.
[ES] SPECIR-957
• Update IPV macros to include new Ep9.7 peaks and IR instrument models. SPECIR-901
Spectrum v10.7.1
New Features and Improvements in Spectrum v10.7.1

• Improve iInstall utility to make it capable of testing Sp3 instruments and the fast scan
accessory
Significant Bug fixes in Spectrum 10.7.1
• Fix the issue of sample table getting corrupted when copying spectrum from one sample
view to another

Spectrum v10.7.0
Summary of New Features and Improvements in Spectrum v10.7.0

• Spectrum 10 TimeBase functionality has been added to Spectrum 10. This is an add-on
component to Spectrum 10 and installed with its own software key.

• Addition of I/O Triggers: A software trigger is provided between Timebase and Pyris
software to facilitate simultaneous data collection for hyphenation with TGA8000. Pyris
and Spectrum 10 should be installed on same PC. Pyris Weight loss data can be displayed
in Spectrum10 and displayed in Pyris window, after Trigger scan on is received by
Spectrum10. The existing external trigger mechanisms is continued to be supported for
other instruments.

• Timebase Multivariate Analysis: PCA (Principal Components Analysis) /


MCR(Multivariate Curve Resolution) is added for analysis of time-resolved IR data.

• Spectrum 10 Additional Processing: Includes additional process commands Spectrum


Merge, Statistics and ATR Advanced correction in Spectrum10. Users are able to search
ATR spectra with %T libraries using additional Search processing options

• Timebase scanalyze: If Scanalyze is selected in Timebase setup , results will be


generated for each scan in the Timebase run. Scanalyze uses the conditions setup for the
appropriate Process command in Setup. Post-run processing also supported.

• Timebase profiles: GS (Gram-Schmidt) profile is displayed by default. Intensity profile,


Compare profile, Equation profile, Quant profile are available for the Users. The
calculation of Intensity profile includes Peak Area, Peak Height, Peak Max Height, RMS
and Average..

• Process Thermal data: A Thermal sub-menu is added to the Process menu if Timeabase
is installed. Smooth and Derivative are included. Thermal data can be loaded by
Spectrum 10, if Pyris is installed on a single PC.
• Cloud connectivity (NetPlus): Quant, Verify and Adulterant Screen methods, equations,
macros, compare, search and mixture libraries on a system can be uploaded to Cloud and
then subsequently downloaded to the same or other nominated instruments on the user’s
network. Qualification (PQ/IQ)/verification information associated with an instrument
are also be able to uploaded to the cloud.

• New Spectrum 3 Instrument Supported: All commercially available Spectrum 3


configurations are supported. This includes support for Spectrum 3 SmartPanel display.

• Improved support for use with Touchscreen PCs This is provided by enable finger
gestures (Zoom, Pan) on the touchscreen to control the spectrum graph using a
touchscreen or panel pc.

• Addition of Force gauge real-time display and Check frequency property for EP test in
System Suitability Test.
Significant Bug fixes in Spectrum 10.7.0

• Sample History Modified&Modification Fields Swapped Over when Printed. Fixed


SPECIR-902
• There is no results in audit trail when doing Multi-search on Win10/Dell PC . Fixed
SPECIR-905

New Features and Improvements in Spectrum v10.7.0ES

• All features as per Spectrum 10.7.0 Standard software are added. The following
notes pertain specifically to Spectrum 10.7.0 ES

• Major Change: TimeBase functionality is incorporated into Spectrum 10 ES and it is an


add-on program to Spectrum 10 installed with its own software key.

• Permissions:New Permission of Timebase setup, PCA/MCR setup, Timebase process


are added into Spectrum 10 ES.

• Signatures: The Signature of Save/Save as for specific Timebase data (SPP, VW, SP,
PRF, VWT), Export(JCAMP & CSV), Extract(SPP), Import(SPP) are added into
Spectrum 10 ES.

• Audit Trail: Various Timebase persistent settings, Any Signature action, Start, Extend
Run and Halt of data collection are all audited in Spectrum 10 ES
Significant Bug fixes in Spectrum 10.7.0 ES

• Make audit trail records consitent in Audit trail window as well as in sign workspace
window. Fixed SPECIR-900

• Group Permissions Overrun with Hot Key combinations. Fixed SPECIR-903


• Data Interval Change is NOT Audited Fixed SPECIR-904

• Unnecessary audit trail records are displayed when deleting temperary rtf files. Fixed
SPECIR-646

Spectrum v10.6.2
New Features and Improvements in Spectrum v10.6.2

• Support for Basler visible image camera added for Spotlight instruments. SPECIR-680

• Minor change to the default EP test parameters to support new guidance in EP chapter on
Infrared Absorption Spectroscopy (2.2.24) in Ph. Eur Supplement 9. This is related to
abscissa check default conditions. SPECIR-873. NOTE – for users upgrading from
previous versions of Spectrum 10 it will be necessary to use new workspaces in order to
default to the new EP settings. If the user has existing workspaces it will be necessary to
delete the existing workspaces in order for the correct new default EP settings to be
loaded. Existing workspaces are located in the
folder ..ProgramData\PerkinElmer\Spectrum\Users\<UserID>\. The filenames to
remove are user.workspace.xml and user.workspace.xsd.

• Interactive force readout for PerkinElmer UATR accessories added to some Instrument
Validation checks

• Improvements in Spotlight 200/200i data collection in handling background spectra in the


collection of groups of random markers. Users are able to choose whether to run
background before every marker or just once before a group of markers. Users are able to
specify family names for sets or markers. Markers are scanned in order they added to the
list. SPECIR-641

• Ability to handle larger visible images in Spotlight 200/200i.

• Support for current ST-Japan libraries by incorporation of new SDK. SPECIR-201

• Minimum peak height feature added to peak command. This is added primarily to assist
in use of certain pre-defined methods for selectin baseline points in spectral calculations.
SPECIR-617.

• Spotlight visible image illumination. Illumination timeout on LED has been removed to
allow collection of extra large visible images. SPECIR-502

Significant Bug fixes in Spectrum 10.6.2

• Occasional errors connecting Spotlight 200i. This issue has been fixed. SPECIR-839
• Quant. Improved ability to constrain maximum number of PLS factors in PLS1 models
using the minimum/maximum factors in the Quant setup. This enables existing FAME
calibrations to use pre-specified number of PLS factors. SPECIR-826

• Occasional exceptions when modifying equations. Issue fixed. SPECIR-740

• Occasional issues opening dx files. Issue fixed. SPECIR-722

• Occasional issues saving ASCII file types. Issue fixed. SPECIR-696

• Remote Sampling Module. String names corrected for non-English versions.


SPECIR-661

• Spectrum Two UATR. Highest resolution settings unavailable. Issue fixed. SPECIR-631

• Heated Transmission Module. Description string changed from ‘Oil Accessory’.


SPECIR-663

• Errors with using external reference correction and stray light correction spectra under
certain conditions. Issue fixed. SPECIR-662

• Visible checkbox not functioning in macros. Issue fixed. SPECIR-485

• Ticking the checkbox of “show live display” doesn’t change the software functionality in
the previous versions. This issue has been fixed. SPECIR-526.
New Features and Improvements in Spectrum v10.6.2ES

• Major Change: Modified role of administrator function. The role of administrator has
now been restricted to the major administration functions, e.g. setting of user/groups
logins and permissions. SPECIR-630

• New supervisor group added to provide a group with default extended permissions
enabled except basic administration functions. SPECIR-789

• Ability of reviewers and approvers to examine others’ workspaces. SPECIR-796

• Permission added to switch on/off ability to approve/review own results for approvers
and reviewers. SPECIR-796

• Add the ability to save the Preview mode state(on/off) in the user workspace.
SPECIR-417

• Permission added to all ‘Show Live Display’ checkbox Scan Setup tab. SPECIR-526

• The audit trail database. The maximum number of entries which can be retrieved for
viewing has been increased from 25000 to 100000 workspaces. SPECIR-637

• Improved searching has been added to assist with searching large databases for specific
spectrum names. An additional entry field is added to enable searches on spectrum names.
All entries in the audit trail where the record includes the spectrum name in the ‘New
Value’ column will be returned. The search is a fuzzy search where records containing
sample description, name, smart accessory used and compare pass/fail results can also be
searched using this entry field. SPECIR-637

Significant Bug fixes in Spectrum 10.6.2ES

• Add Label permission not functioning correctly. Issue fixed. SPECIR-855

• Users group do not have permission to approve own results by default. SPECIR-806

• Spectrum description not audited if changed via the sample table column. Issue fixed.
SPECIR-778

• Edit Sample Name permission not functioning correctly. Issue fixed. SPECIR-756

• Occasional minor discrepancy on audit trail Time of Creation due to next workspace
being created immediately after logging out of old workspace. This resulted in queried
workspaces by ‘When created’ listing the created date as when the previous workspace was closed and
NOT when the new workspace was ‘populated’ . Issue fixed. SPECIR-648

• Error in default naming of background filename leading to discrepancy with background


name in audit trail under certain conditions. Issue fixed. SPECIR-651

• Saving peak label information. Peak labels not appearing when workspace/spectra are
re-opened for review/approval. Issue fixed. SPECIR-545

• Renaming of sample names via results table not correctly audited. Issue fixed.
SPECIR-543

• Behaviour of ‘Edit Sample Name’ and ‘Rename Sample name’ permissions. Minor
change to handle all scenarios of editing sample names before scanning, after scanning
and before saving, and after saving and saving data. SPECIR-446

Spectrum v10.6.1

New Features and Improvements in Spectrum v10.6.1


• Spectrum10 and Spectrum Touch have been updated to support Remote Sampling
Module (RSM).

Significant Bug Fixes in Spectrum v10.6.1


• Report Designer module: Spectrum 10 graph settings are not always applied and it is not
possible to manually scale X and Y axes. This issue has been fixed.
• Spectrum Quant: SNV calculation parameters. Inconsistent prediction results between
Spectrum 6 Quant+ and Spectrum 10 Quant when under specific conditions when
calculation range is less than saved spectrum range and SNV and Detrending are selected
for Normalization. This issue has been fixed.

Significant Bug Fixes in Spectrum v10.6.1 ES


• Workspace ID is not shown in the report. This issue has been fixed.

• In Japanese Spectrum 10 10ES User and PASS can't be input when signing workspace if
no points requires a signature and all points require a prompt. This issue has been fixed.

Spectrum v10.6.0

New Features and Improvements in Spectrum v10.6.0


• Spectrum10 and Spectrum Touch have been updated to support Spectrum Two N near
infrared instruments and its major accessories. These accessories include the Near
Infrared Reflectance Module (NIRM), Remote Sampling Module (RSM) and Heatable
Transmission Module (HTM).

• UnScramblerX model of PCR and PLSR can be imported into Spectrum10 and run to
predict sample properties. Piecewise Direct Standardization (PDS) transformation can
also be applied to pre-process sample spectra before prediction using UnScramblerX
model in Spectrum10. Bias Correction and Pathlength feature will also be kept.

• A Remote Diagnostics feature comprising an IR Diagnostics tool and instrument log file
has been added

Significant Bug Fixes in Spectrum v10.6.0


• The Cross Validation SEP column in Regression summary displays wrong data. This has
been fixed.

• Spectrum 10 software cannot discriminate different HATR top-plates when Ready Check
is performed within the same accessory. This has been fixed.

New Features and Improvements in Spectrum v10.6.0 ES


• Spectrum Touch ES has been developed for audit trail, new electronic signature,
permission control to enhance Touch security. Touch ES will share the same database
with Spectrum10 ES. Microsoft SQL Server version has been updated from 2008 to
2014.

Significant Bug Fixes in Spectrum v10.6.0 ES


• Spectrum GUIDs (already in database) will be displayed in reports

• Added new “Edit Sample Name” permission

• The security database could not be opened. Checksum failure can be seen in table login
history. This has been fixed.

• Uncheck the 'administer search library' permission for a user and write-protect checkbox
in lib setting is still enabled. This has been fixed.

Spectrum v10.5.4
Significant Bug Fixes in Spectrum v10.5.4

• Quant. Methods now support missing property values. For individual sample properties
where property values are unknown the regression will proceed for remaining property
values.

• Quant. A bug where spectra presented in nm scale (as opposed to standard cm-1) caused
an error has been fixed.

• Report Designer. Bug involving incorrect display of processed spectra with different
scales has been fixed.

• Touch. Problems with action of OK button in ASTM E2412 method have been fixed.
Significant Bug Fixes and Improvements in Spectrum v10.5.4 ES

• Login. Authentication bug related to administrator login fixed.

Spectrum v10.5.3
New Features and Improvements in Spectrum v10.5.3

• MultiSearch. Processing speed is improved further by optional use of a graphics


processor. This results is faster processing times and most noticeable when utilising
larger spectral libraries.

• MultiSearch. Minor algorithm modification involving sorting of top Multisearch matches


improves accuracy of results for some multicomponent mixtures, particularly involving
heavy spectral overlap between components.

• Compare. Improvements have been made to Compare using spectra in ‘nm’ scale.
Significant Bug Fixes in Spectrum v10.5.3
• MultiSearch. Some legacy user libraries reported spurious characters in the hit list. This
issue has been resolved for the libraries reported.

• Peak labels. A configurator utility has been added to configure the number of decimal
places reported in peak labels. The exe file ‘decimalconfog.exe’ is located in the
\serviceIR\Bin folder.

• Print. Under some conditions, a mismatch between size of graph in print preview and
actual print is now fixed.

• Adulterant Screen. Under certain conditions, no results were displayed using Windows
10 64 bit OS.

• Quant. Crashes occurred with certain methods containing long character strings. This
issue is fixed.

• Quant. Under certain conditions using PLS1, Spectrum 10 predictions were not displayed
correctly in results table, showing the characters ‘NaN’.

• Spectrum Touch. ‘Next’ button not working correctly in some methods. This is now
fixed.

• Report Designer. Minor bug fixes and improvements pertaining to version number,
positioning of peak labels and access to pdf files have been fixed.

Significant Bug Fixes and Improvements in Spectrum v10.5.3 ES

• Permissions controls have been added for ‘add bitmap’ and ‘add text’.

• If workspaces are set to auto-sign, workspaces no longer need to be manually signed.

• Ability to overwrite .sp files in disk is removed (this does not affect behaviour with
files in the database where this has never been possible).

Spectrum v10.5.0
New Features and Improvements in Spectrum v10.5.0

• The enhanced Spotlight 200i/150i infrared microscopes, available for both Frontier and
Spectrum Two systems, are now operated using Spectrum. This includes operation of the
new motorised ATR objectives. Existing Spotlight 200 microscope systems can also be
operated using Spectrum for the first time. And motorised ATR Crystal up/down count is
recorded for ATR maintenance.

• With Spotlight 200i, regions of interest (particles, inclusions or layers) in the sample
image can be detected using a series of new image analysis algorithms, which then select
appropriate aperture settings for scanning these features. You can manually add further
markers, lines or maps as required. All these markers can be scanned automatically, with
further processing options such as Search and Compare being performed on the resulting
spectra immediately after acquisition. The results are then displayed in an interactive
view.

• A new data processing option, MultiSearch, allows up to ten components in a mixture to


be identified using a library search. You can focus the search to suit your samples by
always including or excluding specific components.

2. Limitations and Known Issues


A list of the known bugs in this release of Spectrum can be found in the accompanying English
file “Spectrum Known Bugs.rtf” or “Spectrum Known Bugs.pdf”.

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