We are glad to announce that we recently released Oniro 1.6.4!
Overview:
This version includes several new features, improvements and bug fixing as listed below. For instance, for MRM data files, you can now run absolute and relative-quantitation experiments using the formula instead of the structure, and switch between transitions directly from the experiments without the need to reprocess them. Additionally, we included a new user role to access the “chromatogram-browser” function.
Recommendation level: Suggested – Useful improvements and fixes: install when feasible.
New Features
- Save charts settings in user profile
- Each user will be able to store in his/her profile the different chart settings
- Run relative-quantification experiments using the formula instead of the structure
- Run absolute-quantification experiments using the formula instead of the structure (for MRM data files only)
- Reference conditions for the absolute-quantification experiments can be defined in a more flexible way:
- Using a dedicated sample-list column;
- Manually selecting each condition;
- “Extracting” each reference sample using an association on the workflow.
- Accept/discard metabolite predictions using some rules based on the reaction mechanisms
- Reveng MetaSite 7: the M7 Reverse engineering functionality is added as a new experiment “Analysis tool” for WMB small molecules
- Available for approved experiments
- Chromatogram Browser feature from Plate Viewer experiments added a color code in the referenced experiments to let know the user if the experiment is in approved (green) or pending (red) status.
- Align with MassMetaSite 4.8: new settings to manage
- Shimadzu ToF files
- Substrate peak detection
- New bond breaking rule “Cyclic phosphoramidate” for monomers
- New User Role to access the “chromatogram-browser” function. The “admin” account can use the “User management” option to grant this new role to all users.
Improvements
- Added filtering options to the Monomer Management feature. Now the user can filter the monomers tree list by name or symbol
- Switch between transitions directly from relative-quantification and absolute-quantification experiments without the need to reprocess them (for MRM data files only)
- Parsing and clustering scheduler now uses availability threads in a more efficient way.
- MetaSite 7 execution:
- Added a timeout execution the user can tune
- Use a dedicated scheduler for MetaSite 7 computation
- Added a couple of fields in the Report system to detect and report those structures that cannot use the Markush depiction
Bug fixing
- Correctly calculate the MS area during a manual reintegration when the “MS base line method” setting is using “Valley-To-Valley” option.
- Adjusted the rendering of the monomers sequence to be always the same of MMS
- UV peaks correctly assigned to the MS peaks also when a manual rt delay is set
- Cleanup of old experiments can generate recurring errors during the removal of the fragments
Get the new release!
You can download the new version at the product page: