Real Time Solutions

Why wait hours until someone processes and reviews the data before being able to get conclusions from it?

Real Time solutions are automation solutions which allow our customers to process and analyse data fully automatically at the point of acquisition.

They can monitor instrument folders and can run processes when the instrument generates new data.

Real Time Solutions

Specifications

Often, it would be very useful to be able to process and analyse data as soon as it is acquired, rather than having to wait for an user to actively find the data and do something with it.
  • Real Time automation solutions are a way of using Mnova’s functionality on data as soon as it is acquired.
  • You can set your Real Time Solution to monitor one or several instrument folders, and you can define what the software will do when a new dataset arrives.
  • This can help you greatly improve your productivity, by taking care of all your routine analysis before any user interacts with the data.
  • You can also take this further, by getting the software to make decisions, or choose who to send the data to, depending on the results of the analysis.
  • Real Time Solutions can therefore be a perfect complement to your Mnova installation, delivering to the chemists data which is better prepared for review, and possibly already analysed.

Real Time Solutions

Features

Real Time Processing

You can get Mnova to process your NMR and MS data as it is written out by the instruments. The software can apply a set of processing parameters and commands, based on the data type (1H, 13C, 19F, HSQC, HMBC, NOESY, MS, etc.), and also apply a layout template to present the data in the desired way, once again based on the data type, ready for inspection. In addition, you can for example generate a PDF, save the resulting Mnova document and PDF to a folder and notify the chemist by an automated email that the data are available for review.

Who is doing this?

Real Time Databasing

Configure the concentration determination method to use a “concentration conversion factor” (CCF), an artificial signal, or the residual solvent signal. If necessary, automatically compensate for changes in the receiver gain or number of scans.

In addition to everything above, you could also be populating a Database with the data, so that it immediately becomes searchable. Once you have done this, your chemists no longer need to browse through many folders to find the data, they could directly search in the Database by Sample Number, Compound ID, or any other metadata, and retrieve fully analysed data. This will result in major time savings.

Who is doing this?

You could also provide this capability for your CROs, which would mean that a fully analysed set of data would be available in the Database, allowing both the CRO and your in-house chemist leading their project to easily find and review analytical data at any given point.

Real Time Verify

This solution would allow you to confirm the correct structure of your compound automatically once the data is acquired. The chemist can then be presented with a fully analysed dataset, with a green or red label depending on whether the verification was successful, as well as with highlighting of the ‘problems’ or ‘issues’ encountered by the verification, both for NMR and MS. As part of the same process, multiplet lists, assigned NMR and MS peak lists can be provided to the chemists, greatly increasing their productivity.

You can even further automate the system by setting up a workflow in which, when verification fails, the instrument automatically acquires more data (for example, 2D NMRs) and sends all the data to an NMR expert, on the assumption that the compound needs to be checked and potentially an unknown needs to be characterised.

You could also provide this capability to your CROs, so that the structure of the compounds they are synthesizing for you is confirmed in Real Time, as soon as they run their samples on their instruments. Your internal chemist gets immediate notification when Compound ID test has failed.

Who is doing this?

Grunenthal calculate that they have reduced the time their chemists spend reviewing NMR data by 80%.

Real Time qNMR

This solution allows you to measure concentration of your sample by NMR in real time, at the point when the data are acquired. Failed concentrations can be highlighted and quarantined, or sent back to the chemist for re-purification, before anything else is done.

Frequently Asked Questions

FAQs

It is very simple. You can set up your Real Time Solution by using the simple wizards they come with. Choose your instrument folders, what you want the analysis to do, how do you want reports to be laid out and what output to generate (.mnova, .pdf, etc.). Once you have set your options up, you click ‘Go’ and the process will run, and do the job you have set up, until you stop it.

There is a simple wizard to do so. Just follow the Wizard tabs to set instrument folders, analysis to be done, and nature and location of results.

You can install the RT Solution on any computer in your network, as long as that computer has access to the instrument folders you want to monitor.

In principle, the Real Time solutions will work with any instruments the Mnova software supports. So long as Mnova can read and process the data, then the RT Solution will work. Check out the feature “Supported  NMR formats” to see all the available options on the Mnova NMR product page.

You can set the system to send email notifications to the users once the analysis is ready. You can set what users get what notifications, for example, you could set the system to send a notification to your NMR expert if structure ID fails, or to the chemist who owns the compound if concentration fails.

You can generate any output Mnova supports. Mnova files, PDF, any type of image files, plus other specialist formats such as MOL or SDF for structures.

Real Time Solutions are licensed on annual subscriptions, with Multi-year packages available, and are licensed per instrument. Contact our sales department, sales@mestrelab.com, to have a discussion with one of our Solutions Experts, who will discuss your specific need and set up and suggest the ideal solution.

This grows all the time, and all functionality available in Mnova can in principle be automated. Right now, we have Real Time Solutions for Processing, Databasing, Structure Verification, qNMR, MS analysis and reporting, NMR Fragment Based Screening, NMR Reaction Monitoring, and we are working on solutions for Multitechnique Quantification, Saving to ELN, etc.

Real Time Solutions

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