Release Notes
Release Notes
6 Release Notes
This document lists all new features, improvements, fixed defects, and known issues that exist in the Thermo
Scientific Exactive Series 2.6 release. For information regarding the installation, features, functionality, and use of
this product, refer to the following sources of information:
• DVD Insert
• Operating Manual
• Online Help
• Software Manual
• Quick Start Guide
Contents
• Installation Notes
• Installation
• Software Compatibility Matrix
• New Features and Improvements
• Known Issues
• Trademarks
Installation
Notes
Supported • Thermo Scientific Exactive Plus mass spectrometer
Target Systems • Thermo Scientific Exactive Plus EMR mass spectrometer
• Thermo Scientific Q Exactive mass spectrometer
• Thermo Scientific Q Exactive Focus mass spectrometer
• Thermo Scientific Q Exactive GC mass spectrometer
• Thermo Scientific Q Exactive HF mass spectrometer
• Thermo Scientific Q Exactive Plus mass spectrometer
System The minimum hardware and software configurations required for Exactive Series 2.6 operation are as follows:
Requirements
System Requirements
PC 2.40 GHz Dual Core Processor
4 GB RAM
512 GB Hard Drive
DVD-ROM Drive
Display Monitor Resolution of 1680 × 1050
2nd Network Interface Card (NIC), 100 MBit/s
Software Microsoft™ Windows™ 7 SP1 Professional (32-bit or 64-bit)
Microsoft Office 2010 or 2013
NOTICE The Exactive Series Instrument Software Kit 2.6 was only tested within the delivered composition. ▲
This guidance addresses a standard installation of a computer suitable to act as a data system for Exactive Series
based instruments. The current software version is 2.6. The guidance is valid at least up to this version. There are
differences between nearly all computers, so even if you have a receipt of installation, be aware that the operating
system or language settings are different. The current explanations have Windows 7 and English in focus.
Thermo Fisher Scientific does not accept any warranty claims about the completeness of this instruction list.
Consulting a Thermo Fisher Scientific support team member of Exactive Series instruments is highly
recommended for setting up a new PC.
Technical Choose a PC with Microsoft Windows 7 as operating system. Windows XP is partially tested for older
Requirements instruments. Vista or Windows 8 have not been tested, but are expected to work in principle. The PC should
have 4 GB or more RAM, a 2 GHz CPU, better more than one CPU core and a dedicated, separate network
interface card (NIC) for communication with the instrument and LC devices, if present.
There are small differences in using 32 bit or 64 bit operating systems. Check the list of supported operating
systems for a particular Exactive Series Instrument Software Kit.
Operating English is the only tested language. It is recommended to switch to English language before installation. This
System installation instruction refers to names of English operating systems.
Language
Network Setup More than one NIC may be present in the system. The one connected to the instrument must not be connected
to the regular Internet connection. Only the instrument to be driven by this particular PC may be connected to
the PC using a 1 GBit switch or hub. LC systems may be connected to that switch, too.
Configure the IPv4 interface as follows:
• address [Link]
• network mask [Link]
• manual DNS selection with empty fields
Physical Links
Use at least a Cat 5e patch cable. Double-check the quality of the cable, if errors occur.
Virus Scanner Disable virus scanner and firewall during installation. Virus scanning can happen in advance and may stay
and Firewall turned on, if it is guaranteed that the firewall is turned off. The installation program informs only the built-in
firewall of Windows properly. Other firewalls have to be informed that the program [Link] (file
locations see below) needs access to incoming and outgoing network traffic. Remind that the dedicated NIC is
usually considered to be a “public network”. Firewall and virus scanner can be turned on after installation.
Reboot the instrument to be sure that everything works.
Software NOTICE Do not start software installation before network setup has been completed! See “Network Setup” on
Installation page 2. ▲
File Locations
Depending on various conditions, the typical installation folders on the computer can be either
• C:\Xcalibur\system\Exactive
• C:\Program Files (x86)\Thermo\Exactive
• C:\Program Files\Thermo\Exactive
This instruction list uses C:\Xcalibur\system\Exactive for easy reading, but depending on the installation
package like Exactive Series Instrument Software kit or Chromeleon, this may be different.
Once the Exactive software has been installed on a system, the folder of the first installation will be reused.
Uninstalling
Previous versions of Thermo Exactive should be removed using Control Panel operation. Present configuration
settings will remain.
Installation
Install using the DVD or a copy of it. Use the regular way of installation for best results. It detects several
problems, if they exist at all.
Restoring a Backup
This step is not needed, if the installation was just an upgrade of the Exactive software. All present configuration
settings remain on uninstalling.
For setting up a replacement computer or after a disk crash, the restore procedure needs to be performed. The
procedure requires administrator privileges. The restore procedure should happen after installation of the new
software.
The installation place may be different to that of the installation. Either use Instrument Configuration and look
where files are located or check the folders appearing at “File Locations” on page 2.
NOTICE It is important to stop the only program that interacts with the files coming from the backup. That is
ExactiveService. ▲
❖ To stop ExactiveService
1. In Windows Explorer, right-click Computer.
2. Select Manage > Services and Applications > Services > Thermo Exactive Series.
3. Right-click it and select Stop.
Keep the dialog open.
4. Replace the msx_instrument_files folder, because it already exists. All other files of the backup should not
exist on the new system. Copy them.
5. Use the open dialog to start the Thermo Exactive Series service again. Alternatively, reboot the computer. In
doubt, contact the Exactive support team of Thermo Fisher Scientific.
NOTICE Automatic updates of any kind, those of the operating system in particular, are usually set to
automatic, but this may disturb instrument data acquisition. We strongly recommend setting all updates to
manual and checking for updates regularly. ▲
New Features The following tables lists new features, improvements and defects resolved in the Exactive Series 2.6 release
and Improve- (Table 1); an improvement resolved in the Exactive Series 2.5 SP1 release (Table 2); improvements and defects
resolved in the Exactive Series 2.5 release (Table 3); new features, improvements and defects resolved in the
ments Exactive Series 2.4 release (Table 4); improvements and defects resolved in the Exactive Series 2.3 SP1 release
(Table 5); new features, improvements and defects resolved in the Exactive Series 2.3 release (Table 6); new
features, improvements and defects resolved in the Exactive Series 2.2 SP1 release (Table 7); new features,
improvements and defects resolved in the Exactive Series 2.1 release (Table 8); improvements and defect fixes in
the Exactive Series 2.0 SP2 release (Table 9); and improvements and defect fixes in the Exactive Series 2.0 SP1
release (Table 10).
Table 1 lists all improvements and fixed defects in the Exactive Series 2.6 release that were implemented since the
Exactive Series 2.5 SP1 release. For details, please refer to the Online Help or the Software manual.
Table 1. Changes from Exactive Series 2.5 SP1 to Exactive Series 2.6
Abstract SCR
Improvement: Method Editor: Help description boxes briefly explain each property setting. DEU-0718
Improvement: Tune: Better messages and help procedures are provided when Inject Flatapol DEU-1069
calibration or Quadrupol Isolation Mass/Resolution Calibrations fail.
Improvement: Method Editor: Minimum AGC target value instead of Underfill ratio is DEU-1103
shown in Data Dependent settings.
Improvement: Tune: UHV warn level is increased when a DART ion source is configured DEU-1522
(Instrument | System | Configuration settings > DART Ion Source Compatibility).
Improvement: Spray current standard deviation is reported in status log. DEU-1832
Improvement: Online Help: Better description of Method Editor Experiments. DEU-1871
Improvement: Online Help: Experiment pane is directly linked with Online Help. In Online DEU-2041
Help, experiment symbols show hyperlinks to parameter descriptions.
Improvement: Xinstaller: Newer IQ report template is available for IQ Report of the Installer. DEU-2303
Defect Fix: Monoisotopic Peak Determination Algorithm is setting the wrong monoisotopic DEU-2204
m/z in Scan Header.
Defect Fix: Xcalibur Sequence Editor: Used file names that include special characters will DEU-2213
create empty acquisitions raw files.
Defect Fix: Tune About Window text block scaling is unfavorable when no MS Office is DEU-2252
installed.
Defect Fix: Method Editor TuneFileChooser: Show file time as local time. DEU-2265
Abstract SCR
Defect Fix: Tune: CTCD calibration is dependent on sheath gas flow. DEU-2269
Defect Fix: Exactive Plus EMR: For support of calibrating an instrument with Advion DEU-2284
NanoMate™ ion source, the background noise check procedure was removed for the following
calibration procedures: C-trap charge detection scaling and mass calibrations.
Defect Fix: Q Exactive instruments: MS1 ions carry over into MS2 after CTCD scan. DEU-2294
Defect Fix: Q Exactive Focus Method Editor: When 'min AGC Target' Trigger is switched off, DEU-2330
the Intensity threshold is shown differently for dd-MS2 modes.
Defect Fix: Q Exactive Focus: Wrong Scan Ranges are acquired for Full MS with Segmented DEU-2345
Master Scans and Polarity switching.
Defect Fix: Method Editor: Unfavorable Font is loaded when no MS Office is installed. DEU-2350
Table 2 lists all improvements and fixed defects in the Exactive Series 2.5 SP1 release that were implemented
since the Exactive Series 2.5 release. For details, please refer to the Online Help or the Software manual.
Table 2. Changes from Exactive Series 2.5 to Exactive Series 2.5 SP1
Abstract SCR
Improvement: Transfer of messages from Exactive Series Tune and Method Editor is adjusted DEU-2059
to the Chromeleon audit trails.
Table 3 lists all improvements and fixed defects in the Exactive Series 2.5 release that were implemented since the
Exactive Series 2.4 release. For details, please refer to the Online Help or the Software manual.
Table 3. Changes from Exactive Series 2.4 to Exactive Series 2.5
Abstract SCR
Improvement: Calibration Report has to be generated for “Customized Mass Calibration”. DEU-1907
Improvement: Q Exactive instruments: Optimize reporting of quadrupole and injection filter DEU-1958
calibrations.
Improvement: Q Exactive, Q Exactive Plus, Q Exactive HF: Provide correct “Last Locking” DEU-2179
information in scan header with regard to time.
Defect fix: Method Editor: the MS/MS data dependent first mass switches to '-' when m/z<50 DEU-735
is entered.
Defect fix: Quad iso/res calibration (rough) plot: Coloring of primary and secondary axis DEU-1929
should be different.
Defect fix: Q Exactive Plus/HF: During evaluation of the Injection flatapole, the message on DEU-1961
the graph header shows Injection flatapole calibration.
Defect fix: Method Editor Global Lists: Empty fields are not supported for (N)CE when a DEU-2042
value was set.
Defect fix: Method Editor Global Lists: Cannot delete field values in a table. DEU-2043
Defect fix: Electronics evaluations in Extra Evaluation procedures are not called when root DEU-2085
node is selected.
Defect fix: CE/NCE: Tune Analysis Graph does not support plotting CE energies. DEU-2087
Defect fix: Tune Analysis graph / Scan HCD Energy: The Activation Energy Scan Range must DEU-2089
be increased from (1-100) to (1-200).
Defect fix: Exactive Plus EMR: Tune Analysis graph / Scan In-Source-CID Energy: The DEU-2090
Activation Energy Scan Range must be increased from (1-100) to (1-200).
Defect fix: Q Exactive Plus/HF: Mass Traces / Scan CE, NCE and in-source CID energy do DEU-2097
not show real-time plot.
Abstract SCR
Defect fix: CE/NCE: Charge state info is displayed when CE is selected. DEU-2101
Defect fix: Q Exactive Plus: Full MS / PRM: PRM scan events are delayed with Full MS DEU-2104
Enhanced Resolution.
Defect fix: Method Editor Properties: Minimum value in a range is not honored if entered in DEU-2121
a property grid in the edit field “mass width”.
Defect fix: Method Editor TopN: Avoid using Periodic Prescan (PPS) mass ranges other than DEU-2137
the full scan range.
Defect fix: The use of Q Exactive Tune files must be forbidden on Q Exactive Plus and DEU-2145
Q Exactive HF instruments in both Tune and Method Editor.
Defect fix: Exactive Plus without HCD shows CE fragmentation in Tune. DEU-2182
Table 4 lists all new features, improvements and fixed defects in the Exactive Series 2.4 release that were
implemented since the Exactive Series 2.3 SP1 release. For details, please refer to the Online Help or the
Software manual.
Table 4. Changes from Exactive Series 2.3 SP1 to Exactive Series 2.4
Abstract SCR
New feature: Q Exactive, Q Exactive Plus, Q Exactive HF: Grouping in MSX Scans DEU-1995
For spectrum multiplexed experiments, an inclusion list MSX ID defines the candidates to be
multiplexed in one scan event.
New feature: Q Exactive, Q Exactive Plus, Q Exactive HF: Enable switching between NCE DEU-2003
and CE.
Enable switching between normalized collision energy (NCE) and absolute collision energy
(CE), which is supported in Tune Editor (“Instrument Control | Fragmentation” and “Mass
Traces | Scan and Plot”) and in the global “Inclusion” list of the Method Editor
Improvement: TIC Intensity Compensation Factors are extended for target values higher than DEU-1479
2.25E6
Improvement: Instrument Configuration: Audit trailing maximum text size is configurable DEU-1956
Improvement: Q Exactive, Q Exactive Plus, Q Exactive HF: Instrument method DEU-1962
“Targeted-MS2” is renamed to “PRM”
Improvement: Tune: Save/open custom calibration lists DEU-1978
2
Improvement: Q Exactive Plus/HF: Workflow FS / AIF / NL-dd MS workflow has to be DEU-1979
supported for Protein Mode licensed systems if instrument is currently not in Protein Mode
Improvement: Q Exactive Plus/HF: Enable averaging functionality of scans for Protein Mode DEU-1983
Improvement: Q Exactive, Q Exactive Plus, Q Exactive HF: Stepped NCE values are DEU-2047
displayed individually in the raw file scan header
Defect fix: Quad RF Frequency Fine Adjustment Procedure does not detect intermittent large DEU-1785
dips in isolation profile
Defect fix: Exactive Plus without HCD shows AIF experiments DEU-1954
2
Defect fix: targeted-MS (PRM): Acquisition of more than one experiment of this type in one DEU-2058
method does not work properly
Abstract SCR
Improvement: Support for Windows standard service accounts DEU-1458
Improvement: Outdated log files will be automatically deleted after 18 months DEU-1780
Improvement: Q Exactive Plus: Quadrupole isolation shape check procedure DEU-1825
Improvement: Q Exactive, Q Exactive Plus: Improvement for isolation calibration DEU-1862
Improvement: Automated inject time calculation for highly concentrated samples is improved DEU-1863
Improvement: Q Exactive Plus: Optimize HCD cell parameters in protein mode DEU-1905
Defect fix: Tune: In rare cases the spectrum view can freeze requiring a restart of the Tune DEU-926
Defect fix: Data system runs out of memory on unexpected stop of Windows Explorer DEU-1809
Defect fix: Acquisition freezes occasionally in methods with complex sample and big number DEU-1830
of dependent scans
Defect fix: After running a method from the tune page, some tune settings are not restored DEU-1841
Defect fix: Exactive Plus EMR: Allow running HCD transfer tuning procedure DEU-1846
Defect fix: Method setup: Restrict lock mass input range DEU-1851
Defect fix: Exactive Plus EMR: Re-initialize the CTCD parameters when switching EMR DEU-1856
mode on/off, reducing equilibration times
Defect fix: Q Exactive Plus: Run-time error at end of Quad Transmission Evaluation DEU-1864
Defect fix: Use custom max IT setting for customized mass calibration procedure DEU-1865
Defect fix: Method setup: Customized Tolerances Dialog Boxes: Typing separators does not DEU-1867
work as expected
Defect fix: Internal rounding error for maximum ion time setting under certain conditions DEU-1872
Defect fix: False nitrogen gas warning may appear on 0 psi set point DEU-1932
Defect fix: Exactive Plus without HCD shows AIF experiments DEU-1954
Table 6 lists all new features, improvements and fixed defects in the Exactive Series 2.3 release that were
implemented since the Exactive Series 2.2 SP1 release. For details, please refer to the Online Help or the
Software manual.
Table 6. Changes from Exactive Series 2.2 SP1 to Exactive Series 2.3
Abstract SCR
New feature: Mass accuracy improvements by lock mass injection DEU-1742
New feature: User-adjustable mass tolerances for methods DEU-1744
New feature: More flexible stepped collision energy DEU-1745
New feature: Support of API programs DEU-1750
New feature: User-selectable isolation window offset DEU-1752
Improvement: For Q Exactive Plus, tuning of transfer optics voltages is not necessary; DEU-951
therefore, the “Tune” pane is removed from the Tune program for Q Exactive Plus
Improvement: Improved quadrupole isolation/resolution narrow calibration DEU-1370
Improvement: Tune “Plot Mass Traces” mass tolerance changed to 10ppm DEU-1555
Improvement: Logic of inclusion list runtime-order changed DEU-1556
Improvement: Lock mass validity restricted to single run DEU-1561
Improvement: Broader isolation windows for MS/MS allowed DEU-1579
Abstract SCR
Improvement: Improved Isolation Transmission Endurance Test DEU-1697
Defect fix: Scan filter is doubly displayed by running msx dd experiments DEU-51
Defect fix: There is no validation for entering Start time > End time DEU-810
Defect fix: The “Setup Complete” window hides behind another window DEU-841
Defect fix: “Vacuum not ready” failure may show up after instrument startup DEU-853
Defect fix: Method Editor: User role wrongly displayed after switching settings in properties DEU-1431
Defect fix: PDF reporting issues after CTCD calibration DEU-1533
Defect fix: Customized mass calibration is not saved in master cal file DEU-1540
Defect fix: Mass calculator does not store last used formula DEU-1615
Defect fix: Double-click on Method start brings up busy messages DEU-1640
Defect fix: Method Editor: TopN: dd-SIM is not available DEU-1645
Defect fix: Change record missing when pasting a table DEU-1723
Table 7 lists all new features, improvements and fixed defects in the Exactive Series 2.2 SP1 release that were
implemented since the Exactive Series 2.1 release. For details, please refer to the Online Help or the Software
manual.
Table 7. Changes from Exactive Series 2.1 to Exactive Series 2.2 SP1
Abstract SCR
New feature: Implement a Data Independent Acquisition (DIA) MS/MS experiment in the DEU-904
Method Editor.
New feature: Widen the isolation window width limit to 50 Da. DEU-1004
AGC improvements are needed to support faster chromatography in targeted experiments DEU-995
New feature: Chromatographic peak width (FWHM) definable in method setup to DEU-1412
automatically adapt instrument timings.
By setting the full width half maximum (FWHM) of the persistent or expected elution
profiles of your chromatographic setup, the instrument software can adapt the frequency in
which AGC information will be delivered. Especially for quantification experiments at fast
chromatography, the AGC information needs to be updated much faster to get the correct
response areas.
New feature: Implement an Exact Mass Calculator. DEU-1262
Based on the analytes chemical formula or sequence (e.g. peptides), species (e.g. +Na adduct)
and charge state, the exact mono isotopic mass is calculated and used for a target definition in
inclusion lists. Additionally it is available in Tune, so one can directly calculate the needed
isolation center mass for SIM and MS/MS scan types and check the current spectral data for
expected candidates and species.
Improvement: Optimized quadrupole RF timing pattern DEU-1316
Improvement: Inclusion list entries are applied in the defined order (unsorted processing, DEU-1321
valid for DIA)
New feature: Method setup shall allow selecting centroid mode for data acquisition. DEU-956
New feature: Implemented PDF-Reports for calibration DEU-1265
New feature: Provide a .NET based Instrument Application Programming Interface (API). DEU-1266
New feature: Improvement of Tune for Direct Control for LC systems (supported are: Accela DEU-1383
Pump 1250, Accela autosampler Open AS, CTC PAL autosampler)
New feature: Implemented Quadrupole Transmission Evaluation DEU-1085
New feature: To improve robustness, the sweep gas can be turned on when in standby mode. DEU-1260
Abstract SCR
Defect fix: Exactive Series instruments overwrite Accela Pump pressure traces in RAW files DEU-1094
with voltages if analog channel data is acquired by the instrument.
Defect fix: Under certain conditions invalid values for CTCD scaling can occur. DEU-1258
Table 8 lists all new features, improvements and fixed defects in the Exactive Series 2.1 release that were
implemented since the Exactive Series 2.0 SP2 release. For details, please refer to the Online Help or the
Software manual.
Table 8. Changes from Exactive Series 2.0 SP2 to Exactive Series 2.1
Abstract SCR
New feature: Extended mass range to 50–6000. DEU-1046
New feature: Increased speed of polarity switching; applies for Exactive Plus and for all DEU-1088
Q Exactive instruments that are shipped after May 2012.
New feature: Additional AGC target value of 5e6 DEU-989
New feature: Added AIF method DEU-1123
New feature: Additional logic for “peptide match” trigger criteria: “preferred” DEU-1031
New feature: Automatic source identification for DART DEU-1010
New feature: Automatic source identification for AP-MALDI DEU-1079
New feature: Calibration report for printout DEU-1080
Improvement: Modified maximum inject time setting concept DEU-1102
Table 9 lists all new features, improvements and fixed defects in the Exactive Series 2.0 SP2 release that were
implemented since the Exactive Series 2.0 SP1 release. For details, please refer to the Online Help or the
Software manual.
Table 9. Changes from Exactive Series 2.0 SP1 to Exactive Series 2.0 SP2
Abstract SCR
Improved AGC performance via C-trap charge detection DEU-631
Improved quadrupole calibrations and evaluations DEU-961
Data Dependent experiment cycle improvements DEU-632
Improved HCD RF amplitude settings (depend now on frequency readback) DEU-943
Improvement: Separate quadrupole calibration for negative ion mode DEU-879
Improved fan error message: Added hint to check the air filters DEU-894
Improvement: Added voltage range checks for IOS HV supply DEU-934
Improved scan header: Inject time now shown as integer DEU-916
Improvement: Increased decimal places in “Neutral Loss” and “Tag Masses” lists from 3 to 5 DEU-875
Defect fix: The isolation window width can not be set to an odd number in one decimal place DEU-938
Defect fix: Error on removing the last line in the table editor DEU-846
Defect fix: Precursor m/z value cannot be easily set in the Instrument Control window DEU-895
Abstract SCR
Online Help: Calibrate and Evaluate do not launch Online Help when pressed F1 if one of DEU-844
the sub-windows is active
Orbitrap: In rare cases, the mass RF amplitude dependency calibration fails in negative ion DEU-896
mode
Improvement of the Data Dependent “exclude isotopes” feature DEU-428
Improvement of the isolation overlap control for targeted workflows DEU-859
Known Issues This table lists all known issues that exist in the Exactive Series 2.6 release.
Abstract SCR
The divert valve numbering in the instrument software is not consistent with the numbering DEU-264
on the valve itself.
Tune Editor does not show correct scan types during ME data acquisition. DEU-949
Method Editor global lists changes in a saved method are not saved automatically. DEU-1191
Remedy: Once a method including a global list was saved as Xcalibur *.meth file and this
global list is edited again, save the *.meth file again.
System does sometimes not boot automatically when Tune version is updated. DEU-1789
Significant drop in signal every 2.5 sec using “Protein Mode”. DEU-2075
Remedy: Average several microscans or switch off C-Trap Charge Detector Support
(Instrument Status | Control | Settings).
Trademarks Data Dependent and Q Exactive are trademarks; Accela, Exactive, Orbitrap, Thermo Scientific, and Xcalibur are
registered trademarks of Thermo Fisher Scientific Inc. in the United States.
Microsoft and Windows are registered trademarks of Microsoft Corporation in the United States and other
countries.
TriVersa NanoMate is a registered trademark of Advion, Inc.
All other trademarks are the property of Thermo Fisher Scientific Inc. and its subsidiaries.