OPUS: Release Overview – Versions 7.8 – 8.8

Version 8.8: New function Extraction with Trace Based X-Axis

Store 3D files where the x-axis is calculated from a trace value. Select a specific trace to define the axis for a newly extracted file.

Version 8.7: High Performance Chemical Image Generation by New Adaptive K-means Clustering Function

Autonomous determination of spectral variance within IR and Raman microscopic imaging and mapping data and automatic assignment of each data point to defined classes. The result is displayed as chemical image of the analyzed sample.

Version 8.7 SP2: New Smart Spectral Contrast function

Creation for real-time generation of the chemical contrast of a sample in the measurement situation.

1. Integral part of video guided workflows of SENTERRA II, LUMOS II, HYPERION II, ILIM.
2. Available as post-run function from the “Evaluation” menu.

Version 8.5: In-Memory Processing

Speed up of processing large spectral data files.

Version 8.5: Optimization of Display and Evaluation Functions

Speed up of the execution of evaluation functions such as integration on large spectral data files. Fast display of newly generated chemical images.

Version 8.7: Unencrypted database can be viewed with Excel

The SQLite unencrypted database can be viewed with Excel.

Version 8.2: Migrating spectra database (ORADB) from OPUS 7.5 up to OPUS 8.1 to OPUS 8.2

First step is making sure OPUS is closed. Then, in order to migrate the old database (ORADB) from OPUS 7.5 up to OPUS 8.1, the user must run the ConvertDatabase.bat file as administrator from the USB stick provided by Bruker after performing the installation of OPUS 8.2. After running the ConvertDatabase.bat file OPUS 8.2 will be started and the old database will be automatically converted to the new format.

Version 8.0: Replacing the local database with the SQ-Light database

SQ-Light is used by default.

Version 7.8: Prepare database for multilingual use

Version 8.7: Setup Quant 2 method shows component correlations even if values are missing

Up to now the correlations plot is only shown if for all spectra all component values are specified.

It shows the correlation now for the spectra, which have defined component values for Comp. A and B. The number of data points will be principally different now for each Comp A/ Comp B pair.

Version 8.7: Material Verification as new QC for Multi Evaluation

The Material Verification shall be set, if in the command line of Multi Evaluation the parameter QCO is given. This is the Compound Name which shall be used in the Verification.

If the parameter QCO is not present, the Material Identification mode shall be used.

Version 8.5: Data migration from an unprotected 32 Bit ORADB database (OPUS 7.8) to a – either protected or unprotected – 64 Bit SQLite database (OPUS 8.5)

The installation of OPUS 8.5 supports the migration of a 32 Bit SQLite database (OPUS 8.0/8.1/8.2) to a 64 Bit SQLite database (OPUS 8.5). If data of a 32 Bit ORADB from OPUS 7.8 or later shall be migrated to OPUS 8.5, please refer to the “Database migration tutorial.pdf” within your OPUS 8.5 installation

(C:\Users\Public\Documents\Bruker\OPUS_8.5…\SQLite\Migration_from_ORABD_to_SQLite).

Version 8.2 : New installer

Version 8.2: The directory structure has changed for * .nti, * .ows, * .xpm files

Files (nti, ows, xpm) are sorted by device types and can be found under the directory OPUS…\Instruments.

Multiple types of devices can now be installed at the same time. At the first OPUS start, you must select workspaces and experiments.

Version 8.8: OVP-X for ALPHA, ALPHA II, and MOBILE-IR II

OVP-X is the new OVP and is responsible for the calibration, testing and qualification of ALPHA, ALPHA II, and MOBILE-IR II spectrometers. As such, it provides a comprehensive, reliable, and simple calibration and qualification management.

Version 8.8: New function Undo Stepwise

You can view each processing step and interactively select each evaluation etc. and finally go back to a specific state.

Version 8.8: Additions to Generate Analysis Report

Spectral Residual FProb value, limit and outlier flag can be printed on Analysis Report.

Version 8.8: Store TRS method block in spectrum file

Rapid Scan Time Resolved Measurement stores the TRS method block in spectrum file.

Version 8.8: Wizard-like guided calculation of PM-IRRAS spectra

The "Evaluate" pull-down menu offers a new dialog "PM-IRRAS Analysis".

All the processing described in the PMA50-manual (section 5.7.9), that the OPUS-user had to perform "by hand" step-by-step, is now included in a single function "PM-IRRAS Analysis". The dialog guides through the processing steps, with the option to inspect intermediate spectra and to adjust parameters.

Version 8.8: OPUS Python API

It is an interface for using OPUS functionality from Python scripts running directly within OPUS or as external scripts. The OPUS Python API offers an interface to run commands against the software OPUS to automate measurement procedures and reading spectral or imaging data. Since OPUS is available with an embedded Python interpreter a user can select and run a Python script directly from within OPUS. As an alternative, a user can communicate with OPUS using its HTTP interface. In this case your Python code is executed by your installed interpreter.

Version 8.7: New OPUS Interface for Data Evaluation using Python Scripts

The interface allows to apply data processing and evaluation methods on OPUS spectral data using Python scripts without prior data export. The results generated by the Python script can be written into and stored with the OPUS data file.

Version 8.7: New Measurement Dialog "Measure Multiple Experiments"

The "Measure" pull-down menu offers a new dialog "Measure Multiple Experiments". This dialog provides a convenient means for processing a set of experiment files (XPMs) and to merge the resulting spectra. The order of execution of individual XPMs can be selected, and for each XPM some experiment parameters can be, without having to modify the XPM-file itself. The measured spectra as well as the merge result are kept loaded in OPUS for further processing.

A typical workflow might include the following steps:

• Add one or more XPM-files to the dialog.
• Adjust the processing order of the XPM-files using the arrow buttons.
• Select any XPM from the list and adjust its experiment parameters. Parameters that do differ from the XPM-file are marked in yellow.
• Check those XPMs from the list, that shall be included in the measurement run.
• Check whether to merge the measured spectra.
• Check whether the backgrounds from some previous run of the dialog may be re-used.
• Run the measurements.
  

Version 8.7 SP1: Support of the fiber module IN350-T for the instruments INVENIO-R, INVENIO-S and INVENIO-X by the new OVP

OPUS supports the instruments INVENIO-R, INVENIO-S and INVENIO-X with the new OVP also when connected to a fiber module IN350-T. The delivered OVP databases support 8 OVP configurations for each of the INVENIO instruments.

Version 8.7 SP1: Support of the microscope HYPERION II connected to one of the instruments INVENIO-R, INVENIO-S and INVENIO-X by the new OVP

OPUS supports the instruments INVENIO-R, INVENIO-S and INVENIO-X with the new OVP also when connected to a microscope HYPERION II. The delivered OVP databases support 128 OVP configurations for the HYPERION II with INVENIO-R and 128 OVP configurations for the HYPERION II with INVENIO-X and 54 OVP configurations for the HYPERION II with INVENIO-S.

Version 8.7 SP1: The new OVP is OPUS-TOUCH-ready for the instruments INVENIO-R, INVENIO-S and INVENIO-X

The new OVP of OPUS can process requests sent by OPUS-TOUCH to perform OVP for the instruments INVENIO-R, INVENIO-S and INVENIO-X.

Version 8.7 SP1: Support of the instrument Matrix-F II by the OVP

OPUS supports the instrument Matrix-F II with OVP.

Version 8.7 SP1: OVP: Extending the LWN-calibration algorithm

The algorithm to recalibrate the wavenumber scale (LWN-calibration) has been extended, which leads to more stability of the result. The calibration is now more independent from the measurement conditions and the instrument state.

Version 8.7 SP1: New version of programming manual (programming.pdf)

The programming manual has been reviewed completely and new chapters have been added to give a comprehensive documentation for users who want to use OPUS remotely via an external program. Sample code to many of the commands is now available.

Version 8.7 SP1: Product Setup

The OPUS function Product Setup has been extended and includes now overwrite parameters for the measurement conditions and the possibility to specify a product group bitmap. This function is suitable to create product files (.opx).

Version 8.7 SP1: Improvements of the “Rapid Scan Time Resolved Measurement” dialog, “Method Editor” tab

The dialog-tab has been made safer to use with respect to splitting modes:  The selection of splitting modes respects the chosen acquisition mode. If the TRS-script contains commands, that are unsuitable for the splitting mode, warnings are issued to the user. Warnings are also given, if a too high phase resolution has been set in the “FT”-tab, that would lead to confusing time stamps of the split data.

Version 8.7 SP1: Improvements of the “Split Interferograms” dialog

The dialog has been made more like “Rapid Scan Time Resolved Measurement” in appearance and behavior. The option “Use first interferogram as background” has been added. If the input data has a too high phase resolution, that would lead to confusing time stamps of the split data, a warning is issued.

Version 8.7 SP2: New “Cut-Off Frequency Analysis” function

The function allows to determine unsupervised the spectral cut-off of optical materials and detector elements on single spectra and microscopic data.

Version 8.7 SP2: New “Refractive Index” function

The function allows to determine unsupervised the refractive index of optical materials and detector elements on single spectra and microscopic data.

Version 8.0: Global Audit Trail

The individual audit trails of user management and signature setup of previous OPUS versions are replaced by a system audit trail with significantly advanced functionality. The Global Audit Trail records all operations and the corresponding files with time stamp, user ID and full user name in human readable format.

• Login, logout, failed login, expired or changed password
• Connected data base
• Creation, modification or inactivation of users and signatures, incl. change control
• Measurement, evaluation and signature (if applicable) of spectra, incl. link to file history block
• Import of data into the Protected Data Pool

Smart and intuitive filtering options (e.g. for time, operation or user) easily reveal relevant information and, thus, facilitate audit trail review. For change control, previous and current parameters and settings are detailed in the Global Audit Trail and provided upon audit trail export.

Version 8.0: User and Signature Management

The dialogs for user management and signature setup are combined into an improved and more user-friendly workflow (e.g. same password for login and signature).

Version 8.0: Access Control

Following current GMP guidelines, access control and security / compliance topics are updated and improved in functionality. Key features include:

• Separation of administrative and operative roles: Administrator level (User and signature management and system configuration) is completely independent from Lab Manager (Supervisor) and Operator role (responsibility for the record content, e.g. measurement and data evaluation)
• Release signatures need to be provided by two individuals
• Configurable complexity of passwords (minimum length, number of uppercase and lowercase letters, special characters and numerals)

Version 7.8: Specifying of reference spectra and parameters

Version 7.8: Check of a test spectrum against the reference spectra of a QC method

Version 8.8: 3D FocusFusion

Generating sharp visual images of uneven samples with Bruker IR and Raman microscopes. Improving the sensitivity of Raman mappings by automatic Raman focus adjustment following the sample’s surface topography.

1. Generating microscopic images with extended depth-of-focus. 
   
2. Raman mapping with SENTERRA II following the height information of the fused imaged.
3. Displaying of topographical Raman chemical images.
   

Version 8.7: Novel Particle Detection Method in “Find Particles” Function

Particle detection, characterization, and statistics (number, dimensions) from visual and IR & Raman chemical images.

Version 8.7: New “Cluster ID” Function for Identification of Classes in 3D Spectral Data

Determination of the chemical identity of classified sample components in 3D spectral images, such as particles, layers in laminates, components of pharmaceutical tablets and other inhomogeneous materials.

Version 8.5:  OPUS supports ONET with ALPHA II FT-IR Spectrometer

Administration of spectrometers in global use from one central instance.

Version 8.2 SP2: Pharmacopoeia Test MIR

Qualification test protocol for MIR spectrometers (e.g. ALPHA, INVENIO, LUMOS, TENSOR, VERTEX) according to current global Pharmacopoeia, harmonized for compliance with European (EP), US (USP), Japanese (JP), Indian (IP) and Chinese (ChP) Pharmacopoeia, including EP version 9.7 valid from April 1st 2019. While the protocol for transmission channels is updated, a new protocol for ATR measurement channels is created (requires new reference material BRM1921-ATR).

Version 8.5 SP1: Harmonized NIR Pharma Test replaces USP <1119> and Ph.Eur. 2.2.40 Plugin

Based on new chapters of the US Pharmacopoeia for NIR (effective November 1st 2020 <1119> will be replaced by <856> / <1856>), a harmonized NIR Pharma test protocol is introduced to OPUS OVP. The NIR Pharma Test (intended as OQ Test) combines the Ph.Eur. 2.2.40 and USP <1119> test protocols of previous OPUS version and, thus, guarantees that instrument qualification is performed in compliance with European, US and Japanese Pharmacopoeia, i.e. Ph.Eur. 2.2.40, USP <856> / <1119> and JP Phys. Chem. Section.

Version 8.8: OVP-X for ALPHA, ALPHA II, and MOBILE-IR II

OVP-X is the new OVP and is responsible for the calibration, testing and qualification of ALPHA, ALPHA II, and MOBILE-IR II spectrometers. As such, it provides a comprehensive, reliable, and simple calibration and qualification management.

Version 8.7: Support of the instruments INVENIO-R, INVENIO-S and INVENIO-X by the new OVP

OPUS supports the instruments INVENIO-R, INVENIO-S and INVENIO-X with the new OVP. The delivered OVP databases support about 2100 OVP configurations for the INVENIO-R and for the INVENIO-X and about 1800 OVP configurations for the INVENIO-S.

Version 8.7: New features of the new OVP for the supported instruments

The OVP Setup, OVP Run and OVP Status dialogs provide the ability to be enlarged. The sizes of the dialogs and the width of the columns are kept for reopening of a dialog during a session with the OPUS software.

The OVP Setup dialog has additional functionality:

With the button “Start all calibrations” the calibrations of all selected measurement configurations can be initiated. The button “Start all reference spectra measurements” works accordingly.

The “Define” button opens the following dialog:

Here, one of the existing measurement configurations can be selected. The calibration (laser wave number) of the selected measurement configuration is used for normal measurements for which no measurement configuration exists.

The button “Details” opens a dialog with detailed information of the selected measurement configuration including serial numbers if present.

A new extended algorithm for handling several beam paths for the instrument and additional “chambers” as HTS-XT, Hyperion, … is now in place for creation of a combined system beam path of the system. This system beam path is used for automatic creation of measurement configurations for more complex systems excluding not possible combinations of sources, beam splitters, channels, detectors, and accessories.

Version 8.5: Qualification of LUMOS II instruments

The new OVP (also named OVP-X) exists for LUMOS II. New dialogs are available for the setup and execution of OVP which use a new OVP engine connected to newly designed databases for the definition of the OVP tests, the setup of the measurement configurations and for storing the results.

The dialog allows to select and unselect

• measurement configurations defined by the source, beam splitter, detector, …
• groups of OVP tests for test standards as OQ (Bruker), PQ (Bruker), Pharmacopoeias
• single OVP tests in the groups

to define the necessary testing for qualifying the instrument according to the needs of the laboratory.

Additionally, the dialog enables the user to start the laser wavenumber calibration and the measurement of reference spectra.

Detailed information about the status of the instrument concerning OVP is also shown on the dialog. A clear color scheme makes it easy for the user to recognize the status on the different levels for each measurement configuration.
The exact definition of the measurement configuration currently chosen with the mouse is shown in the bottom.

The dialog allows to select and unselect

• measurement configurations defined by the source, beam splitter, detector, …
• groups of OVP tests for test standards as OQ (Bruker), PQ (Bruker), Pharmacopeias

to define an OVP run.

Additionally, the dialog shows detailed information about the status of the instrument concerning OVP.

The user can enter a comment for the OVP run and define, how reports are handled, via the dialog.

The exact definition of the measurement configuration currently chosen with the mouse is shown in the bottom.

Version 8.5: Support of the new detectors TE-MCT and FPA of LUMOS II

Additionally, to the detectors already available for LUMOS I the detector TE-MCT introduced for the LUMOS II instrument is supported by the OVP.

For imaging, the new focal plane array (FPA) detector with 32 x 32 pixels was introduced for the LUMOS II instrument. The detector is supported by OVP. The following newly defined OVP tests for the FPA detector are available:

• Homogeneity test
• Signal to Noise test
• Wavenumber Accuracy Test Water Vapor
• PhEur 9.6 (5.24 Chemical Imaging) Wavenumber Accuracy test
• Wavenumber Cutoff test

Below the first page of the report of an OVP run for a measurement configuration including an FPA detector is shown.

Version 8.0: Option for the installation of OPUS software (“21 CFR Part 11 Mode”)

Inspired by the FDA’s Data Integrity guideline, the Protected Data Pool is applied for the protection of electronic records on operation system level against deletion, deterioration, renaming and loss. Each version of measurement parameters and evaluation methods ever used on the computerized system (including import from previous OPUS versions or another CS) is maintained in the Protected Data Pool.

Version 8.7: New Measurement Dialog "PEM Measurement"

The "Measure" pull-down menu offers a new dialog "PEM Measurement". This dialog is used for performing vibrational circular dichroism (VCD) or polarization modulated infrared reflection absorption (PM-IRRAS) measurements. OPUS directly communicates with the attached photoelastic modulator (PEM) controller, all necessary adjustments at the PEM controller can be made through the new dialog. Currently the PEM200 from Hinds Instruments, Inc. is supported.

Version 8.8: Round shaped FPA tiles

Available in the video guided workflow of LUMOS II imaging systems as additional button in mapping positions.

Allows the definition of round FPA imaging measurement areas to optimally match round shaped samples, i.e. whole particle filter.

The measurement is reduced to the region of interest, i.e. the filter, saving time and data volume.

Windows Compatibility

• OPUS is compatible with Windows 10 from version 7.8 on.

Version 8.7 SP1: Hyperion II

Redesign of the “Video guided measurement” for seamless combination of IR Laser Imaging and FT IR microscopic measurements.

Version 8.5: Video-guided measurement workflow for the new LUMOS II imaging microscope

The video-guided measurement workflow for the LUMOS II guides the operator easily through the microanalytical workflow:

Version 8.5: New video-guided measurement workflow for HYPERION microscopes

Guided workflow for IR microscopic analysis with maximum user convenience.

Harmonization of the workflow and functionality for all Bruker IR- and Raman microscopic products.

Version 7.8: Video-guided measurement for Senterra II microscopes

Version 7.8: Visualize and evaluate mapping and imaging measurements after data acquisition