Программное обеспечение OPUS для колебательной спектроскопии

OPUS: Последний релиз

LATEST RELEASE

OPUS Workstation

OPUS 9.2 is the latest releases of OPUS, the leading software for measurement, processing and evaluation of IR, NIR and Raman spectra. OPUS is a true 64 Bit software, delivering utmost performance under native 64 Bit operation.

OPUS 9.2 is released for Windows 11.

OPUS 9.2 contains further improvements for FT-IR / QCL / Raman microscopy and for THz extension of VERTEX (NEO) spectrometers. Furthermore, new TANGO II runs with the validation program OVP-X.

New OPUS 9.2 features include:

QUANT3 - Multivariate Calibration: QUANT3 is for development of multivariate calibrations and provides a project structure for managing spectral data and creating models. There are interesting features and automated steps which allow a smooth workflow. Besides the established PLS algorithm two new algorithms are available: Support Vector Regression (SVR) and Local Regression (LR) which provide more capabilities for heterogeneous data sets and non-linear data.

Project-Based Design: All models, spectra, and results are stored in a single file, simplifying data management.

 

Data Handling & Validation

Spectra Loading: Supports bulk import from folder trees from different base paths.

Component-Specific Processing: Components are managed individually with handling of missing reference data.

Dataset Splitting: Uses Kennard-Stone algorithm either by reference values even with automatic handling of missing data, or PCA scores.

  • Validation Strategy:

    Third Dataset: Enables real-time performance checks during model development.

    External Validation Set: Manually assignable, excluded from automated splitting, used for testing new data against existing models.

QUANT3 - continue

Algorithmic Enhancements: Two new algorithms

 

Support Vector Regression (SVR): Handles heterogeneous and non-linear data

  • Kernel based algorithm capturing non-linearities
  • Parameters are handled and optimized by an automated grid search within user-defined limits
  • Based on PLS scores and requires PLS modeling before but enables full control of the data beforehand and an outlier detection based on the underlying PLS model

Advantages (SRV)

  • Deterministic and suitable for pharma
  • Works with similar dataset sizes as PLS 

 

Local Regression (LR): Handles heterogeneous and non-linear data, dynamic modeling

  • Library-Based Modeling: Uses compressed spectra and model-free libraries
  • PLS Rank Setting: Global (patented approach) or automated per component

Advantages:

  • Easy library updates
  • Single model for multiple products

Limitations (LR):

  • Needs hundreds of samples and is sensitive to data distribution 
  • Not robust for minor components and not for pharma use 

THz Measurement: The new THz measurement function for verTera (THz extension of VERTEX NEO vacuum spectrometers) introduces a modernized interface, now seamlessly integrated as a standard OPUS feature. Users benefit from enhanced control options: for vacuum control a dedicated control page is included within the THz dialog. Additionally, for spectrometers equipped with a sample wheel or sample shuttle, users can conveniently select the sample position via the advanced settings page-streamlining setup and improving measurement flexibility.

Interference Solver: By leveraging measured data that contains interference patterns, the solver can accurately determine either the layer thickness when the refractive index is known, or vice versa. This dual-mode flexibility enables users to extract critical optical parameters with greater precision and efficiency.

Support of new Instrument and OVP-X for TANGO II: OVP-X is responsible for the calibration, testing and qualification of TANGO II spectrometers. As such, it provides a comprehensive, reliable and simple calibration and qualification management for TANGO II configurations and makes the setup of new sampling modules easier than before.

LATEST RELEASE

OPUS-TOUCH

Version 6 is the latest release of OPUS-TOUCH, the first true touch-operated software for infrared spectroscopy. OPUS-TOUCH provides highest accessibility for FT-IR beginners and full instrument control for experts, including monitoring of hardware and system status.

Autonomous Composition Identifier, or A.I.D.

Fast and reliable analysis function for complex mixtures and pure substances. The new Composition-ID function is a completely new designed spectra search tool for mixtures and pure components. It requires no input for the expected number of components, provides a multitude of results in one run and automatically selects the one that fits best.   

 

Product Measurement Workflow

The product measurement workflow enables fast and efficient measurement and evaluation of various samples. Each product precisely defines the measurement and evaluation process and can include an image to facilitate easy navigation within the workflow. Individual products can also be added directly to the home screen for quick access. The result view consolidates multiple results and visually highlights predefined warning and alarm limits for better clarity and decision-making. 

Trend View

The trend view enables the visualization of various result types obtained from product measurements, including Quant 1, Quant 2, and Quick Compare. Outliers, such as those exceeding warning or alarm limits, are clearly highlighted graphically. Users can select different time ranges for analysis and export results in CSV format.

 

ONet Client Functionality

OPUS TOUCH can serve as an ONet client for ONet 4.0, enabling centralized setup, administration, and control of a network of FTIR instruments from any remote location worldwide.

  • Data Exchange: Products can be received from the ONet server, and spectra and results can be uploaded back to it. This integration ensures streamlined operations, robust data access, and efficient instrument network management.
  • Local Accessibility: All data and required files remain available locally, allowing for uninterrupted sample analysis even during network downtime.
  • User Management: User rights are managed via ONet, with fine-tuning possible directly on the client.
  • Monitoring: ONet receives status updates and PQ/OQ reports from connected clients.

 

The Tutorial Center

The tutorial center, accessible via a new icon in the upper-right corner of the screen, offers a library of video tutorials covering a wide range of TOUCH functions. Context-specific videos are displayed based on the currently active view, ensuring relevant guidance. All tutorials include both audio and subtitles, providing a user-friendly and accessible learning experience.

ПОСЛЕДНИЙ РЕЛИЗ

BRAVO

Version 2.2.4 is the latest release of the BRAVO handheld Raman spectrometer software, supported by OPUS 8.8.4. Be guided straightforward through a reasoned workflow, including various analysis tools and reporting options, while simply touching icons on a large touch screen. BRAVO is designed for the operation in validated environments of the pharmaceutical industry and offers all required functionality to meet regulatory requirements out of the box.

New BRAVO handheld Raman features include:

  • BRAVO Web Access
    A secure https interface enables to access system information, licensing functionality, EAP-TLS certificate management and a BRAVO screen sharing functionality.
  • BRAVO Viewer
    The secure https web access enables screen sharing of the BRAVO GUI as well as full remote control of the BRAVO software via a web browser.
  • Device Diagnostics
    Updated device diagnostics functionality for fast and easy access to performance status information.
  • EAP-TLS WiFi Authentication
    Support of EAP-TLS protocol with custom certificates.
  • Service Mode
    New service mode functionality to enable flawless maintenance by Bruker service.
  • NTP time server connection
    A new option for controlling the system date & time is the stand-alone connection to a NTP time server.


ПОСЛЕДНИЙ РЕЛИЗ

ONET

Программное обеспечение ONET 3.1 - это серверное приложение, доступ к которому осуществляется через веб-интерфейс на основе браузера (WebUI), позволяющее настраивать, администрировать и контролировать сеть приборов FT-IR или FT-NIR из любой точки мира. Все данные, измеренные на локальных спектрометрах, хранятся централизованно. Тем не менее, все данные и необходимые файлы по-прежнему доступны локально, что позволяет анализировать образцы в любое время, даже когда сеть временно отключена.

Новые функции ONET 3.1:

  • Новый современный веб-интерфейс пользователя.
  • Более быстрое и эффективное общение с клиентами ONET.

 

  • Простое присвоение референтных значений через .csv import
ПОСЛЕДНИЙ РЕЛИЗ

CMET

CMET 3.1 - это последняя версия программного обеспечения, обеспечивающего связь между поточными FT-NIR анализаторами компании Bruker и распределенной системой управления (РСУ) клиентов. Команды, подаваемые РСУ, передаются в CMET, который в свою очередь запускает конкретное измерение и передает данные обратно в РСУ для визуализации и архивирования, а также для мониторинга и оптимизации процесса. CMET поддерживает различные стандартные протоколы связи, такие как Modbus, Profibus DP, 4-20 мА и OPC, что обеспечивает оптимальную связь с РСУ.

Новые функции CMET 3.1:

  • Он-лайн коррекция систематической ошибки BIAS, контроль рецептуры (упрощенная работа с серийными процессами) и CMET как служба Windows.
  • Поддержка эмиссионных датчиков серии Q412 и их дополнительного режима работы с одним источником излучения.
  • Новый интерфейс трендчарта с функцией входа в систему и подключением к базе данных.