Acquiring high-quality data doesn’t need to be a challenge
Acquire the highest quality data possible to unlock the information, knowledge, and value in your samples with Thermo Scientific LC-MS Data Acquisition software.
No matter what LC, GC, IC or MS system you are using, or the complexity of the experiment you wish to perform – acquiring your data should be simple. From flexible solutions for research-based applications to routine and compliance-ready solutions or open access needs, we have you covered.
Learn more about LC-MS Data Acquisition software
Being able to set up and control your LC-MS instrumentation, from quadrupole to high-resolution, accurate-mass mass spectrometers (HRAM-MS), should be simple, flexible and ensure that you can acquire the highest quality data possible so you can make confident, informed decisions. Learn more about the options to control your Thermo Scientific mass spectrometers based upon your requirements.
Control, process, and explore your high-quality data acquired from Thermo Scientific LC-MS systems and related instrumentation, including third-party LC inlets. Thermo Scientific Xcalibur software provides complete method setup, data acquisition, processing and reporting capabilities with tools such as Freestyle and Quan Browser, as well as the algorithm AcquireX data acquisition.
Providing access to all of your installed applications from small-molecule, application-specific data processing software such as Thermo Scientific Compound Discoverer software to large molecule Thermo Scientific Proteome Discoverer software, as well as a host of cloud-based applications, never be without the latest tools or update notifications.
Key benefits of Xcalibur software
| All your applications in one place | Comprehensive and instinctive method editing | Easily interrogate your high-quality data | Get the latest updates and information |
|---|---|---|---|
| With a comprehensive portfolio of application-specific packages, access all your installed applications from customizable landing pages, including cloud-based applications. | Acquiring the highest-quality data is critical to ensuring its transformation into actionable knowledge. Powerful method-editing capabilities through drag-and-drop method creation, makes it easy to obtain deep insights into your data. | Whether you want to perform quick quantification of several compounds, or more deeply interrogate your raw data, the latest visualization and analysis tools allow you to see what’s really there. | From new and updated data acquisition methods to installed application updates, you’ll never miss out when new and enabling capabilities are deployed. |
The customizable landing page shows all your available data acquisition, interrogation, and processing tools (note that some applications, such as FreeStyle, are included with Xcalibur software whereas others depend upon your instrumentation or purchased applications). With notifications when the latest data acquisition method templates are available, as well as product updates, you’ll never miss out on being able to acquire and interrogate your data, delivering insights and allowing you to focus on your science.
A consistent, unified architecture between the latest Thermo Scientific Tribrid mass spectrometer, the Thermo Scientific Orbitrap Eclipse Tribrid mass spectrometer and Thermo Scientific triple quadrupole mass spectrometers means that users of all experience levels can acquire high-quality data with minimal training. Acquisition methods can be rapidly created with drag-and-drop capabilities, or you can choose from multiple default templates covering the most popular experiments, allowing walk-up access and data acquisition.
Control your laboratory regardless of vendor, with extensible, compliance-ready software covering a broad range of instrumentation as well as multiple Thermo Scientific ion chromatography (IC), liquid chromatography (LC) and gas chromatography (GC) quadrupole and HRAM-MS systems: standalone, over a network or enterprise.
With routine screening and quantitative capabilities to intact mass analysis and multi-attribute method (MAM) as well as regulated bioanalysis, do more with less.
eWorkflow procedures allow you to create complete analyses, from data acquisition to processing and reporting, which means simplified training and system operation, as well as confident and consistent results across your organization.
Key benefits of Chromeleon CDS
| Regulatory compliance for your MS analyses | Multi-instrument control across your enterprise | Productivity and efficiency | Continuous evolution to meet market demands |
|---|---|---|---|
| Requirements for acquiring and processing data under compliant conditions are increasing in many application areas. Thermo Scientific Chromeleon Chromatography Data System (CDS) streamlines multiple MS workflows while keeping up with evolving compliance regulations (e.g., GLP/GMP and 21 CFR part 11 regulations). | Streamlining instrument control within your laboratory, or across multiple laboratories globally has never been easier with reliable control for over 525 different instrument modules from over 20 LC and GC vendors, as well as control of multiple Thermo Scientific triple quadrupole MS and high-resolution MS systems. | Drive productivity through consistent control of multiple laboratory instruments, or provide open access capabilities. From method creation to reporting, these capabilities can be conveniently bundled into an eWorkflow so anyone can access, run, and report your assays. | With the drive to utilize MS within QC and Lot Release for complex Biotherapeutics, the ability to perform peptide mapping (Multi-Attribute Method) and intact mass deconvolution, or regulated bioanalysis further upstream, this trusted CDS environment futureproofs your laboratory. |
With customizable views, it is fast and simple to create MS quantitative analyses. Easy visualization and quantitation of all components is achieved using intelligent MS quan, which automates the processing of all components based upon their quantitation ions. Spectra from chromatographic peaks can be easily displayed and compared, through handy thumbnail spectra, or in more detail in the dedicated plots.
From the multi-attribute method and targeted peptide mapping with new peak detection to intact mass analysis and deconvolution within a compliance-ready environment, Chromeleon CDS provides laboratories wishing to implement HRAM-MS within regulated environments with the necessary tools. Seamless integration with discovery-focused Thermo Scientific BioPharma Finder software enables easy method development and set-up before transfer into Chromeleon CDS. Additionally, Chromeleon CDS interfaces with both Thermo Fisher SampleManager LIMS, the world's most widely deployed LIMS, and Thermo Fisher Watson LIMS for bioanalytical workflow management, as used by the top 20 global pharma and biopharma organizations.
Increase productivity by acquiring and processing your targeted screening and routine quantitative data from Thermo Scientific LC and GC quadrupole and HRAM-MS systems.
With configuration for environmental-, clinical-, food safety-, forensics- and pharma/biopharma-specific nomenclature, you can rapidly and flexibly develop confident routine quantitative or targeted screening workflows that are accessible to all with minimal training requirements.
Offering user log in with controlled privileges, combined with the ability to tailor what you see on-screen, method and reporting templates, and highly visualized data review; Thermo Scientific TraceFinder software allows you to rapidly acquire, process, review and report your high-throughput quantitative or targeted screening workflows with accuracy, precision, and confidence.
Key benefits of TraceFinder software
| Complete configurability | Quantify more, in less time | Access the latest mass spectral library information | Manage your data; don’t let your data manage you |
|---|---|---|---|
In high-throughput laboratories, time spent learning new software means less time for analyzing samples. With market-specific terminology, user login for different operator levels, and configurable views to aid data processing and reporting, spend more time generating results. | Easily configurable methods, and the ability to select pre-configured methods and reporting templates, combined with real-time processing and data evaluation means that your results are rapidly available for review and reporting whether they are from quadrupole or high-resolution data. | Targeted methods can be rapidly populated with target compounds from compound databases. When screening or requiring additional confirmation, or to identify unknowns, you can access the latest Thermo Scientific mzCloud mass spectral library contents through mzVault as well as utilize the NIST mass spectral library. | Your data is your knowledge, so it has inherent value. Being able to acquire and store data across your network means that you can safeguard this knowledge and manage data more easily. |
With targeted screening, confidence in your results is key. The ability for multiple forms of confirmation from spectral library matching, fragment ion confirmation through to isotopic pattern confirmation (as shown above), and highly visual data review capabilities not only affords rapid data review and reporting, but assurance that you have matched your targets.
Simplify review based upon your needs with a data review that is highly visual and flexible based upon sample or compound views, using filters and groups, which can also be carried forwards to reporting.
For assays where exhaustive sample profiling is required to ensure each compound has sufficient, high-quality accurate-mass fragmentation information (MSn) for confident compound identification, AcquireX data acquisition allows you to automate this traditionally tedious process.
Pre-defined method templates are available to use straight away, or to facilitate rapid method development. AcquireX experiments provide you with the means to capture MSn fragmentation spectra on the components of interest, and not background ions or matrix components.
Collect more meaningful data, and not just more data.
Key benefits of AcquireX software
| Collect more meaningful data, not just more data | Fully automated, all-inclusive data acquisition | Increased productivity and more confident identifications |
|---|---|---|
| Typical LC-MSn workflows compromise between spectral quality, specificity, and coverage and require extensive manual input. Break these dependencies and capture high-quality MSn spectral data on every compound in your sample, automatically. | From background exclusion to the inclusion of sample compounds, automated include/exclude list updates and iterative sample re-injections ensure exhaustive MSn profiling without the need for manual interrogation. | Compared to 'traditional' DDA, both the number of compounds with in-depth fragmentation spectra and the confidence in spectral matches increases, when using AcquireX with Thermo Scientific Compound Discoverer software or Thermo Scientific Mass Frontier software with mzCloud is increased. |
Through analysis of sample background (a blank), an exclusion list is automatically created, followed by a full scan MS analysis to create an inclusion list of precursor ions. These inclusion and exclusion lists are then used to dynamically analyze your sample.
The lists are automatically updated as MSn data is acquired for each compound, ensuring data quality through reduced redundancy in the total number of fragmentation spectra per compound.
Learn more about LC-MS Data Acquisition software
You can use the instrument control software to collect high-quality mass spectrometry data on the Thermo Scientific mass spectrometers. Control of the instruments is through two application packages: Tune and Method Editor.
For questions about the software, to request features, or to report defects, send an email by clicking here.
Orbitrap Tribrid MS series instrument control software version 3.5 SP1
Release date | Build number | Instruments | Software requirements |
| January 31, 2022 | 3.5.3886.0 | Orbitrap Eclipse Tribrid MS, Orbitrap Fusion Lumos Tribrid MS, Orbitrap IQ-X Tribrid MS, Orbitrap ID-X Tribrid MS | Xcalibur 4.3 or later (use 4.5 for the latest AcquireX features). Note, use of Orbitrap Tribrid MS series 3.5 requires Windows 10. |
New features |
| The Orbitrap Tribrid MS series instrument control software version 3.5 and 3.5 SP1 incorporates the following new and improved features: |
| Support for the Orbitrap IQ-X Tribrid MS mass spectrometer |
| (Orbitrap IQ-X Tribrid MS and Orbitrap Eclipse Tribrid MS small molecule application mode only) Support for Real-Time Library Search, facilitating decision-based triggering of MSn scan events in small molecule applications |
| (Orbitrap IQ-X Tribrid MS only) Support for Auto-Ready ion source, enabling automated and remote calibration |
| Support for Chromeleon™. Compatibility between Orbitrap Tribrid Series 3.5 and Chromeleon 7.2.10 MUd has been fully tested for Orbitrap IQ-X. The Chromeleon Driver Compatibility matrix is updated when other Tribrid Series models and configurations are fully tested. For more information and to view the compatibility matrix, sign on to https://support.thermoinformatics.com/downloads/default.aspx , and then select Chromeleon > Chromeleon > Related Drivers > Driver Compatibility Matrix |
| Support for the new AcquireX workflow, “Advanced Deep Scan”, including more flexible parameter settings through the Xcalibur data system 4.5 |
| Support for FAIMS Pro Duo Interface through the support of additional sources (HESI/APCI) |
| Data acquisition optimizes FAIMS CV post-switching delay time when using multiple CV Voltages per experiment |
| FAIMS Pro: Total Carrier Gas Flow succeeds FAIMS User Gas to enable lower flow rates for improved nanospray (NSI) stability |
| Advanced Peak Determination (APD) is now standard for all Orbitrap Tribrid MS products and benefits from application-mode specific optimization |
| Support for Extended Low Mass range m/z 40 in MSn scans |
| (Small molecule application mode only) The Mild Trapping option is available to reduce MS1 fragmentation of labile compounds |
Usability enhancements:
|
Known issues (severity, and possible fixes) |
When using Windows 10, the View Raw File button does not open the raw file properly, nor can you double-click the raw file to open it. Instead, navigate to the raw file, right-click it, and browse to the appropriate application (FreeStyle) to open the file. Select the checkbox to always open a raw file with the selected application, which then becomes the default. (Reported in Release Notes 3.0 and 3.1). |
When running Orbitrap IQ-X Tribrid MS series software version 3.5 SP1 under Chromeleon 7.2.10 MUd, an error message appears in the Chromeleon audit trail: “Double Property Bearing_Temperature cannot be updated with TP_RUNNING”. The error occurs when first opening Chromeleon or when adding the mass spectrometer to the Chromeleon instrument configuration. This error does not affect the operation of the Orbitrap Tribrid MS instrument. |
Following acquisition with Orbitrap Tribrid Series software version 3.5 SP1 under Chromeleon 7.2.10 MUd while using a method in which Application Mode is set to Peptide, the resulting file created cannot be opened or exported. When attempting to export the file in RAW format, the error, “Cannot load raw data for item”, appears. In this case, you will not be able to view the file in Chromeleon, Xcalibur, or FreeStyle. Workaround: Set the Application Mode to Small Molecule before saving the methods (you can create MS Methods in the Peptide Application Mode from the available scans, filters, and templates). |
| Subscribe to the label "Orbitrap Tribrid MS Instrument Control Software" on AnalyteGuru website to receive alerts about newly discovered defects. |
Fixed defects |
| See Orbitrap Tribrid MS series ICSW v. 3.5 SP1 Release notes |
Contact us |
| Orbitrap Tribrid series request Orbitrap Tribrid series issue |
Orbitrap Exploris MS series control software version 4.0 SP1
Release date | Build number | Instruments | Software requirements |
| December 17, 2021 | 4.0.309.28 | Orbitrap Exploris 480 MS, Orbitrap Exploris 240 MS, Orbitrap Exploris 120 MS, Orbitrap Exploris GC MS, and Orbitrap Exploris GC 240 MS | Microsoft™ Windows™ 10 Enterprise 2016 LTSB or 2019 LTSC Thermo Scientific Xcalibur 4.5 |
New features |
| Tune: Customized Mass Calibration and Check run the Mass Calibration with User-definable mass lists. |
| Tune: Calibration pane provides a One-Point Mass Calibration procedure using fluoranthene. |
| Fore Vacuum supervision: The user needs to be informed if transfer tube is clogged. |
| Method Editor: Global Settings - Internal Mass Calibration provides various internal calibration modes (RunStart, Scan-to-Scan, Timed). |
| Method Editor: Global Settings - Internal Mass Calibration offers Lock Mass Injection functionality for user-defined lock masses. |
| Raw file spectra provide access to extended peak data supported by FreeStyle 1.8 and higher. |
Known issues |
| Subscribe to the label "Orbitrap Exploris MS Instrument Control Software" on AnalyteGuru website to receive alerts about reported bugs and available patches. |
Fixed defects |
| System Calibration: eFT calibration may fail due to wrong fit |
|
Contact us |
| Orbitrap Exploris MS series request Orbitrap Exploris MS series issue |
Exactive MS series Instrument Control Software Version 2.12 QF1
Release date | Instruments | Software requirements | Exactive Series version 2.12 |
| June 15, 2021 | Exactive MS series | Windows 10 Enterprise 2016 LTSB or 2019 LTSC | Download here › |
For more information see: Exactive MS Series 2.12 Release Notes
New features |
Features from Exactive MS series 2.9:
|
|
|
|
Known issues |
For more details, defect fixes and known issues, please refer to the Release Notes of 2.11 and 2.11 QF1. |
Fixed defects |
See Exactive MS Series Instrument Control Software vs. 2.11 QF1 Release Notes |
Contact us |
| Exactive MS series request Exactive MS series issue |
Orbitrap Tribrid MS series instrument control software version 3.5 SP1
Release date | Build number | Instruments | Software requirements |
| January 31, 2022 | 3.5.3886.0 | Orbitrap Eclipse Tribrid MS, Orbitrap Fusion Lumos Tribrid MS, Orbitrap IQ-X Tribrid MS, Orbitrap ID-X Tribrid MS | Xcalibur 4.3 or later (use 4.5 for the latest AcquireX features). Note, use of Orbitrap Tribrid MS series 3.5 requires Windows 10. |
New features |
| The Orbitrap Tribrid MS series instrument control software version 3.5 and 3.5 SP1 incorporates the following new and improved features: |
| Support for the Orbitrap IQ-X Tribrid MS mass spectrometer |
| (Orbitrap IQ-X Tribrid MS and Orbitrap Eclipse Tribrid MS small molecule application mode only) Support for Real-Time Library Search, facilitating decision-based triggering of MSn scan events in small molecule applications |
| (Orbitrap IQ-X Tribrid MS only) Support for Auto-Ready ion source, enabling automated and remote calibration |
| Support for Chromeleon™. Compatibility between Orbitrap Tribrid Series 3.5 and Chromeleon 7.2.10 MUd has been fully tested for Orbitrap IQ-X. The Chromeleon Driver Compatibility matrix is updated when other Tribrid Series models and configurations are fully tested. For more information and to view the compatibility matrix, sign on to https://support.thermoinformatics.com/downloads/default.aspx , and then select Chromeleon > Chromeleon > Related Drivers > Driver Compatibility Matrix |
| Support for the new AcquireX workflow, “Advanced Deep Scan”, including more flexible parameter settings through the Xcalibur data system 4.5 |
| Support for FAIMS Pro Duo Interface through the support of additional sources (HESI/APCI) |
| Data acquisition optimizes FAIMS CV post-switching delay time when using multiple CV Voltages per experiment |
| FAIMS Pro: Total Carrier Gas Flow succeeds FAIMS User Gas to enable lower flow rates for improved nanospray (NSI) stability |
| Advanced Peak Determination (APD) is now standard for all Orbitrap Tribrid MS products and benefits from application-mode specific optimization |
| Support for Extended Low Mass range m/z 40 in MSn scans |
| (Small molecule application mode only) The Mild Trapping option is available to reduce MS1 fragmentation of labile compounds |
Usability enhancements:
|
Known issues (severity, and possible fixes) |
When using Windows 10, the View Raw File button does not open the raw file properly, nor can you double-click the raw file to open it. Instead, navigate to the raw file, right-click it, and browse to the appropriate application (FreeStyle) to open the file. Select the checkbox to always open a raw file with the selected application, which then becomes the default. (Reported in Release Notes 3.0 and 3.1). |
When running Orbitrap IQ-X Tribrid MS series software version 3.5 SP1 under Chromeleon 7.2.10 MUd, an error message appears in the Chromeleon audit trail: “Double Property Bearing_Temperature cannot be updated with TP_RUNNING”. The error occurs when first opening Chromeleon or when adding the mass spectrometer to the Chromeleon instrument configuration. This error does not affect the operation of the Orbitrap Tribrid MS instrument. |
Following acquisition with Orbitrap Tribrid Series software version 3.5 SP1 under Chromeleon 7.2.10 MUd while using a method in which Application Mode is set to Peptide, the resulting file created cannot be opened or exported. When attempting to export the file in RAW format, the error, “Cannot load raw data for item”, appears. In this case, you will not be able to view the file in Chromeleon, Xcalibur, or FreeStyle. Workaround: Set the Application Mode to Small Molecule before saving the methods (you can create MS Methods in the Peptide Application Mode from the available scans, filters, and templates). |
| Subscribe to the label "Orbitrap Tribrid MS Instrument Control Software" on AnalyteGuru website to receive alerts about newly discovered defects. |
Fixed defects |
| See Orbitrap Tribrid MS series ICSW v. 3.5 SP1 Release notes |
Contact us |
| Orbitrap Tribrid series request Orbitrap Tribrid series issue |
Orbitrap Exploris MS series control software version 4.0 SP1
Release date | Build number | Instruments | Software requirements |
| December 17, 2021 | 4.0.309.28 | Orbitrap Exploris 480 MS, Orbitrap Exploris 240 MS, Orbitrap Exploris 120 MS, Orbitrap Exploris GC MS, and Orbitrap Exploris GC 240 MS | Microsoft™ Windows™ 10 Enterprise 2016 LTSB or 2019 LTSC Thermo Scientific Xcalibur 4.5 |
New features |
| Tune: Customized Mass Calibration and Check run the Mass Calibration with User-definable mass lists. |
| Tune: Calibration pane provides a One-Point Mass Calibration procedure using fluoranthene. |
| Fore Vacuum supervision: The user needs to be informed if transfer tube is clogged. |
| Method Editor: Global Settings - Internal Mass Calibration provides various internal calibration modes (RunStart, Scan-to-Scan, Timed). |
| Method Editor: Global Settings - Internal Mass Calibration offers Lock Mass Injection functionality for user-defined lock masses. |
| Raw file spectra provide access to extended peak data supported by FreeStyle 1.8 and higher. |
Known issues |
| Subscribe to the label "Orbitrap Exploris MS Instrument Control Software" on AnalyteGuru website to receive alerts about reported bugs and available patches. |
Fixed defects |
| System Calibration: eFT calibration may fail due to wrong fit |
|
Contact us |
| Orbitrap Exploris MS series request Orbitrap Exploris MS series issue |
Exactive MS series Instrument Control Software Version 2.12 QF1
Release date | Instruments | Software requirements | Exactive Series version 2.12 |
| June 15, 2021 | Exactive MS series | Windows 10 Enterprise 2016 LTSB or 2019 LTSC | Download here › |
For more information see: Exactive MS Series 2.12 Release Notes
New features |
Features from Exactive MS series 2.9:
|
|
|
|
Known issues |
For more details, defect fixes and known issues, please refer to the Release Notes of 2.11 and 2.11 QF1. |
Fixed defects |
See Exactive MS Series Instrument Control Software vs. 2.11 QF1 Release Notes |
Contact us |
| Exactive MS series request Exactive MS series issue |
Contact us
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