Hoboken, NJ — October 31, 2023 — Wiley, a knowledge company and global leader in research, publishing and knowledge solutions, today announced the release of the <a href="https://lcms.labrulez.com/products/1016">KnowItAll 2024 Analytical Edition</a>, the latest version of its spectral software that offers solutions to analyze, identify, quantify, and manage analytical and chemical data.
When it comes to chemical quantitative analysis, researchers often find themselves navigating multiple software packages. Mastering multiple software packages to achieve the same level of expertise, reproducibility, and interoperability is a major pain point and a training challenge. Further disruptions to analysis occur when lab personnel are forced to switch tools, or cut and paste between packages, depending on the type of analytical technique or data format.
To overcome these challenges, Wiley’s new integrated <a href="https://lcms.labrulez.com/products/1018">KnowItAll Quantitation</a> option provides a single, easy-to-use tool to perform these tasks consistently in a vendor-neutral environment that supports multiple techniques (GC-MS, IR, Raman, UV-Vis, GC) and instrument formats. KnowItAll Quantitation provides users with an intuitive, step-by-step process in a single interface and includes methods for: external calibration, internal calibration, and standard addition analysis.
This release also includes many advances and improvements to our analysis, data management, processing, and reporting across multiple techniques. We also included major updates to our <a href="https://icpms.labrulez.com/products/1022">NMR workflow</a> and <a href="https://lcms.labrulez.com/products?category=285">LC-MS databasing</a>. 
“Wiley’s KnowItAll has always helped us answer ‘what’ is the identity of a substance. With the 2024 release, KnowItAll will now be able to help us answer ‘how much’ of the substance there is. By adding quantitative analysis, we complete and simplify the analytical workflow across multiple analytical techniques, saving labs valuable time in analysis and proficiency training,” said Graeme Whitley, Director, New Business Development at Wiley. “In this release, we also added an optional AI-predicted IR library, based on a new AI predictive model and have made significant improvements to our NMR workflow and LC-MS databasing to bring them toward the standard of excellence set by our benchmark IR, Raman, and GC-MS workflows.”
KnowItAll Software offers solutions to analyze and manage multiple types of spectral and chemical data in multiple file and instrument formats. KnowItAll&#39;s integrated toolsets eliminate the need for multiple software packages and increase overall lab efficiency and staff proficiency. Combined with Wiley’s comprehensive, high-quality spectral reference libraries, it provides an unparalleled solution for fast, reliable spectral analysis. Learn more at <a href="https://sciencesolutions.wiley.com/whats-new-in-knowitall-2024/">sciencesolutions.wiley.com</a>.

Wiley Announces the Release of KnowItAll 2024 with New Multi-Technique Quantitation Tool and Additional Advances for Spectral Analysis Workflows

<h3>The recommended procedure for H53 method integration in Clarity (method 1):</h3>
<ol>
<li>Use Baseline – Lock on the whole chromatogram.
</li>
<li>Apply Baseline – Allow Crossing to the whole chromatogram with the option To Start/End.
</li>
<li>Via Peak – Add positive, add the following peaks:
</li>
</ol>
<ul>
<li>A peak with the start time just before the solvent peak (this is the initial point of the baseline) and the end time at the beginning of the first fraction.</li>
<li>The first fraction (C10) peak with the start time exactly at the end time of the previous peak and the end time at the end of the fraction.</li>
<li>In a similar manner, i.e., with non-overlapping time frames, add the other peaks for remaining fractions (optionally, C10–C20, C20–C30, and C30–C40).</li>
</ul>
<ol start="4">
<li>Set Baseline – Together and Baseline – Forward horizontal over the entire chromatogram.
</li>
<li>Assign peaks to respective fractions using Force Peak Name (exact times are filled automatically when selecting the peak from the graph).
</li>
<li>Create a calibration file for the present fractions.
</li>
</ol>
When the chromatogram is integrated appropriately, you can use the Method - Save as Template command from the Chromatogram window to save the method as a template method, so it can be used for further measurements. In the case you have already measured all the samples, you can apply the integration on all your chromatograms via Analysis – Batch reprocess by method.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_How_to_determine_non_volatile_hydrocarbons_according_to_DIN_H53_ISO_16703_1_4d7e6aabf8/DataApex-How-to-determine-non-volatile-hydrocarbons-according-to-DIN-H53-(ISO-16703)-1.jpg" alt="DataApex - How to determine non-volatile hydrocarbons according to DIN H53 (ISO 16703)? 1"/>
Note: In the case, that the amounts of some compounds in standards are not known, it is necessary to set the Curve Fit Type to Free Calibration on the tabs of these compounds in the Calibration window.
<h4>Example of an evaluated chromatogram</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_How_to_determine_non_volatile_hydrocarbons_according_to_DIN_H53_ISO_16703_2_9da75db54b/DataApex-How-to-determine-non-volatile-hydrocarbons-according-to-DIN-H53-(ISO-16703)-2.jpg" alt="DataApex - How to determine non-volatile hydrocarbons according to DIN H53 (ISO 16703) - 2"/>
<h3>An alternative procedure for H53 method integration in Clarity (method 2):</h3>
<ol>
<li>Use the same Peak Width and Threshold as in standard integration.
</li>
<li>Apply Baseline – Together to the whole chromatogram.
</li>
<li>Apply Baseline – Forward Horizontal to the whole chromatogram.
</li>
<li>Mark all the peaks between C10 and C40 as a group (the group boundary lines may exceed the C10 and C40 peaks, only fully contained peaks will be included).
</li>
<li>Amend the peak starts and ends by manual peak tools if necessary for the C10 and C40 (use the Peak - Both, with the A time corresponding to the respective C10 or C40 time and B time positive or negative, respectively. The times are relative, i.e., will be shifted accordingly in other chromatograms).
</li>
<li>Create calibration file for C10, C40, and Group A peaks.
</li>
</ol>
If the integration is not correct at this point (e.g., the integrated area for Group A between C10 and C40 peaks does not start/end exactly where the C10/C40 peaks end/start respectively, as shown in the figure below), an additional step might be added after step 3.: Apply again Baseline – Together to the whole chromatogram. Continue with the remaining steps.
To subtract a baseline, in the Method Setup – Advanced dialog, set the baseline chromatogram, and in the Matching, set No Change. The baseline file should be acquired on the stabilized system and preferably without injection of solvent or at least with a lower volume of the solvent. Otherwise, negative artifacts will appear, interfering with the correct baseline setting in Clarity later on.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_How_to_determine_non_volatile_hydrocarbons_according_to_DIN_H53_ISO_16703_3_cbe418722f/DataApex-How-to-determine-non-volatile-hydrocarbons-according-to-DIN-H53-(ISO-16703)-3.jpg" alt="DataApex - How to determine non-volatile hydrocarbons according to DIN H53 (ISO 16703) - 3"/>
<blockquote>
There is a condition that must be met:
</blockquote>
<blockquote>
<ul>
<li>The drawn baseline must not cross the chromatogram line (the negative areas arising do not have any physical meaning).</li>
</ul>
</blockquote>
This approach is generally less reliable and more sensitive to the choice of Integration Algorithm. 
<h4>Example of an evaluated chromatogram</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_How_to_determine_non_volatile_hydrocarbons_according_to_DIN_H53_ISO_16703_4_46736a7950/DataApex-How-to-determine-non-volatile-hydrocarbons-according-to-DIN-H53-(ISO-16703)-4.jpg" alt="DataApex - How to determine non-volatile hydrocarbons according to DIN H53 (ISO 16703) - 4"/>
<h3>Sample data for Clarity</h3>
<ul>
<li><a href="https://downloads.dataapex.com/documentation/clarity/other/DIN_H53.zip">DIN_H53.zip</a> - zipped chromatograms, methods, and calibrations.</li>
<li><a href="https://downloads.dataapex.com/documentation/clarity/other/Din-H53-processed.dgz">Din-H53-processed.dgz</a> - archived Clarity Project to restore with Clarity via the Archive/Restore function</li>
</ul>

How to determine non-volatile hydrocarbons according to DIN H53 (ISO 16703)?

<h3>KnowItAll is better than ever with new tools and advances for your analytical workflow from analysis to reporting</h3>
<h4>Powerful Software. Quality Data. Results You Can Rely On.</h4>
Wiley’s <a href="https://gcms.labrulez.com/products/1016">KnowItAll spectral software</a> offers solutions to identify, analyze, and manage analytical and chemical data. Combined with Wiley’s comprehensive, high-quality spectral reference libraries, it provides an unparalleled solution for fast, reliable spectral analysis.
With the <a href="https://gcms.labrulez.com/products/1016">KnowItAll 2024 software</a> release, Wiley continues to expand KnowItAll’s capabilities, including a new quantitative analysis tool that can significantly simplify your workflow; plus, many advances and improvements to data management, processing, and reporting across various techniques.
Below is a full and detailed summary of the many exciting updates.
Access to features and data depends on the user’s license and edition of the software you are using.
<h3>NEW! <a href="https://gcms.labrulez.com/products/1018">Quantitation Tool</a></h3>
<h4>No more switching back and forth between packages! Consolidate your software &amp; workflow using KnowItAll’s integrated <a href="https://gcms.labrulez.com/products/1018">quantitation tool</a>.</h4>
Wiley’s KnowItAll has always helped us answer the question of “what” is the identity of a substance. And now, with the 2024 release, KnowItAll can help us answer “how much” of the substance there is with a new quantitative analysis tool to complete and simplify your workflow.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_Because_your_analytical_tools_and_techniques_are_integrated_into_a_single_environment_Know_It_All_makes_the_laboratory_workflow_seamless_2bef4f75e0/Wiley-What's-New-in-KnowItAll-2024-Because-your-analytical-tools-and-techniques-are-integrated-into-a-single-environment-KnowItAll-makes-the-laboratory-workflow-seamless.jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: Because your analytical tools and techniques are integrated into a single environment, KnowItAll makes the laboratory workflow seamless"/>
This valuable quantitation tool is now available as an option for the KnowItAll software and included with KnowItAll <a href="https://gcms.labrulez.com/products/1026">Campus-Wide subscriptions</a>. Currently supports quantitation workflows for GC-MS, IR, Raman, UV-Vis, and GC.
<h3>Technique-Specific Advances</h3>
<h4>In this release, we continue to advance our NMR and LC-MS capabilities within KnowItAll toward a standard of excellence on par with our benchmark IR, Raman, and GC-MS workflows.</h4>
<h3>NEW! <a href="https://gcms.labrulez.com/products/969">Wiley Database of Predicted IR Spectra</a></h3>
This new optional database with over 250,000 predicted spectra was created by Wiley Science Solutions using an AI-powered spectrum prediction engine derived from its high-quality Fourier-transform infrared spectroscopy (FTIR) empirical spectral database collection—the largest commercially available. The predicted library can be used along with Wiley’s empirical IR spectral reference databases in spectral analysis of unknown samples, especially useful for rarer compounds and materials, when a match cannot be found in any empirical database.
<h4>As you can see below, the predicted data (blue) fills in the chemical space of the empirical training set (red) as it works within the boundaries of what can be predicted from the underlying empirical data.</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_Zoomed_in_130_Wiley_IR_empirical_data_only_1fd712bf9f/Wiley-What's-New-in-KnowItAll-2024-Zoomed-in-130percent-Wiley-IR-empirical-data-only.jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: Zoomed in 130%, Wiley IR empirical data only"/> <img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_Zoomed_in_130_predicted_IR_data_included_2950cf8e2f/Wiley-What's-New-in-KnowItAll-2024-Zoomed-in-130percent-predicted-IR-data-included.jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: Zoomed in 130%, predicted IR data included"/>
<h3><a href="https://icpms.labrulez.com/products/1022">NMR Workflow</a> Simplified &amp; Updated</h3>
<h4>New and updated tools to streamline structure elucidation</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_NMR_Workflow_Simplified_and_Updated_5543e6add0/Wiley-What's-New-in-KnowItAll-2024-NMR-Workflow-Simplified-and-Updated.jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: NMR Workflow Simplified &amp; Updated.jpg"/>
In this release, we have significantly revamped NMR structure elucidation workflows with improvements to NMR processing and interactive user-created databases that can store experimental spectra, structures, and metadata for future viewing and fast database searching, plus automatic report generation for HNMR and CNMR. Here is an overview of the changes:
<h4>In ProcessIt</h4>
Updated integration methods, phasing, and solvent referencing tools
<ul>
<li>Functional improvements to macros</li>
<li>Updated integration methods (integral standardized to sum 1.0)</li>
<li>Updated phasing algorithm</li>
<li>Raw file retains name of parent folder (meets standard naming convention for raw NMR data)</li>
</ul>
<h4>In MineIt</h4>
New tools for multiplet analysis and assignment
<ul>
<li>The structure assignment and multiplet analysis dialogs have been separated into two distinct steps and dialogs in MineIt. Users with 1H-NMR or 13C-NMR spectra can analyze multiplets using the Define Multiplets dialog, and then assign multiplets to the chemical structure using the Assign Structure dialog.</li>
<li>And now, for each 1H and 13C record databased in MineIt, KnowItAll’s NMR Tools can automatically generate an NMR report.</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_Use_the_Define_Multiplets_dialog_to_group_peaks_into_multiplets_and_obtain_an_automatic_evaluation_of_splitting_patterns_coupling_constants_and_chemical_shifts_e449843125/Wiley-What's-New-in-KnowItAll-2024-Use-the-Define-Multiplets-dialog-to-group-peaks-into-multiplets-and-obtain-an-automatic-evaluation-of-splitting-patterns-coupling-constants-and-chemical-shifts.jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: Use the **Define Multiplets** dialog to group peaks into multiplets, and obtain an automatic evaluation of splitting patterns, coupling constants, and chemical shifts"/>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_The_Assign_Structure_dialog_supports_structural_symmetry_for_faster_assignment_users_can_assign_cross_coupling_to_heteroatoms_as_needed_e_g_1_H_31_P_and_13_C_19_F_3f67c48503/Wiley-What's-New-in-KnowItAll-2024-The-Assign-Structure-dialog-supports-structural-symmetry-for-faster-assignment-users-can-assign-cross-coupling-to-heteroatoms-as-needed-(e.g.-1H-31P-and-13C-19F).jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: The **Assign Structure** dialog supports structural symmetry for faster assignment; users can assign cross-coupling to heteroatoms as needed (e.g., 1H-31P and 13C-19F)"/>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_Automatically_generate_an_NMR_Report_for_archived_NMR_spectra_9af75688a5/Wiley-What's-New-in-KnowItAll-2024-Automatically-generate-an-NMR-Report-for-archived-NMR-spectra.jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: Automatically generate an **NMR Report** for archived NMR spectra"/>
<h3>LC-MS Advances</h3>
In this release significant advances have been made for LC-MS workflows to processing, data mining, and database building.
<ul>
<li>Users can now import LC-MS raw chromatogram files and view the correlated mass spectra at different time points. Supports: Agilent, Thermo, Waters, Bruker (.d folders of subtype .baf, .tsf, .tdf). View current files supported <a href="https://sciencesolutions.wiley.com/knowitall-supported-file-formats/">here</a>.</li>
<li>In ProcessIt and MineIt, when a user imports a chromatogram, if multiple MS Levels exist, an MS Level filter panel will be displayed. User can filter their MS scans by All, n=1, n=2, etc.</li>
<li>User can now add peak labels to databases, including import peak labels from SDF and MSP files.</li>
<li>Chromatogram property values will now display if user displays “Property Table” in ProcessIt.</li>
<li>A new user database type now supported in MineIt: MS(IMS) for ion mobility – mass spectrometry records. IMS-MS spectral pane for MineIt, allowing users to distinguish their IMS samples from LC-MS or GC-MS methods.</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_New_MS_Level_Configuration_pane_allows_d912a14802/Wiley-What's-New-in-KnowItAll-2024-New-MS-Level-Configuration-pane-allows.jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: New MS Level Configuration pane allows user to separately display MSn levels if n &gt;1 exists. The same filter also appears for MS (LC) records in MineIt. This allows users to separately isolate desired MS levels for extraction, searching, etc."/>
<h3>GC-MS Advances</h3>
GC-MS analysis is a process of component separation and identification. Done manually, it can be a time-consuming and challenging task, especially in a complex analyte such as petrochemicals and other complex organic samples.   
To empower researchers, KnowItAll 2024 revamps manual GC-MS processing to provide users greater control of component separation and identification. These improvements, combined with the completely automated data analysis in the previous release, make KnowItAll 2024 an even more reliable, efficient, powerful, and accurate tool for GC-MS data analysis.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_What_s_New_in_Know_It_All_2024_Process_It_MS_now_provides_a_hit_list_for_each_extracted_MS_for_user_review_within_it_39167d8d59/Wiley-What's-New-in-KnowItAll-2024-ProcessIt-MS-now-provides-a-hit-list-for-each-extracted-MS-for-user-review-within-it.jpg" alt="Wiley: What&#39;s New in KnowItAll 2024: ProcessIt MS now provides a hit list for each extracted MS for user review within it"/>
<h3>General Updates</h3>
<h4>In this release we have made multiple updates to streamline the analytical workflow, as well as improvements based on user feedback.</h4>
MineIt
<ul>
<li>Now allows peak labeling in user databases</li>
<li>Database differentiation capabilities for Raman-SERS data, IMS-MS </li>
<li>Ability to display NMR coupling data directly on a structure</li>
<li>Import for multiple SDF files, as well as NIST databases</li>
<li>Ability to wrap spectral titles</li>
<li>Row height now saved as part of display profile</li>
<li>Export MineIt hitlists to csv files (does not include spectra)</li>
<li>Added “Implicit Hydrogen” menu-item (default for MS applications)</li>
<li>Option to display records by a field other than record name when multiple spectra exist in same record with same spectral type. (e.g., instead display records by date of collection, collision energy, chromatographic method, etc.)</li>
</ul>
SearchIt
<ul>
<li>Usability improvements to interface include batch search more prominent on the search interface, quick and field search now combined on the dialog box, hit list display profiles can now be applied for searches</li>
<li>SearchIt MS: optimized corrections added (Mass defect by default, MS spectrum skewing optional); now allows m/z range restrictions</li>
</ul>
ReportIt
<ul>
<li>The user license is added to all report templates </li>
<li>Hit list table are auto extended to multiple pages (vs. a fixed size</li>
</ul>
ProcessIt
<ul>
<li>Improved Area Under the Curve (AUC) calculations</li>
<li>Second integration method option added Tangential Skim</li>
<li>Transfer MS file to SearchIt with brief filename and slice# as tag</li>
</ul>
ID Expert
<ul>
<li>Displays fragment structure for functional group (IR, Raman)</li>
<li>ID Expert report refresh</li>
</ul>
Other
<ul>
<li>DEA Controlled Substance Prediction has been updated with the latest DEA regulation rules. For some background: within the Wiley KnowItAll Spectroscopy and ChemWindow software, one can categorize chemical structures of controlled substances using property prediction in the MineIt application. This predictive model categorizes structures using a database of DEA regulation rules.</li>
<li>Example markush stype structures database is added for reference</li>
<li>Various accessibility improvements</li>
<li>Menu item added under the Help menu to view the End User License Agreement (EULA)</li>
<li>Improved VPAT scores for better accessibility</li>
<li>Additionally, multiple bug fixes implemented, including:<ul>
<li>Corrected crash when a “.D” folder does not contain an “ms.data” file</li>
<li>Issues with SDF Export of xnmr data (ProcessIt)</li>
<li>Clip art button now functional (ReportIt)</li>
<li>NMR processing bugs </li>
<li>Many additional minor reported bugs fixed</li>
</ul>
</li>
</ul>
Training Documents Updated
<ul>
<li>Major updates to training documents: This series of lessons provides tutorials the user can follow along with <a href="https://sciencesolutions.wiley.com/knowitall-software-training-course/">here</a></li>
</ul>
<h3>Compatibility</h3>
<ul>
<li><a href="https://sciencesolutions.wiley.com/system-recommendations/">See system recommendations here.</a></li>
<li><a href="https://sciencesolutions.wiley.com/knowitall-supported-file-formats/">View file formats supported.</a></li>
</ul>

What's New in KnowItAll 2024

<h3>Promotion Alert!</h3>
For a limited time, customers who replace their existing chromatography software or integrator with <a href="https://lcms.labrulez.com/products/999">Clarity</a> or Clarity Lite Chromatography Software will receive a 20% discount on the software! This promotion is applicable also for old DataApex software (CSW17/CSW32). The promotion is valid through August 31, 2024.
Please contact <a href="https://www.dataapex.com/">DataApex</a> or your <a href="https://lcms.labrulez.com/products/999">distributor</a> for more details.
<h4>Why migrate to Clarity/Clarity Lite?</h4>
<ul>
<li>User-friendly interface.</li>
<li>Scalable solution.</li>
<li>Comprehensive data analysis tools.</li>
<li>Wide range of over 1000 controlled instruments.</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Replace_your_current_Chromatography_Software_with_Clarity_and_Save_Big_190b40fbee.jpg" alt="DataApex: Replace your current Chromatography Software with Clarity and Save Big!"/>

Replace your current Chromatography Software with Clarity and Save Big!

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