The Automated Analytics Workflow

Is it a pain manually transferring files from Your Analytical instruments to the ELN?

The Arxspan Analytical add-on automates this process ensuring that critical files are secured and linked to the experiment.

Arxspan ELN (Electronic Laboratory Notebook) is a powerful tool for scientists to document, analyze, and share their research. One of the key features of the ELN is its analytical addon, which automates the process of securing and linking critical files to an experiment.

In a chemistry experiment, for example, the analytical add-on can be used to automatically link spectroscopy data, chromatography data, and other analytical results to the relevant experiment. This ensures that all the necessary data is easily accessible and organized in one place, making it easier to review and analyze the results.

But the benefits of the analytical add-on go beyond just organization and accessibility. By automating the process of linking critical files, the add-on also helps to ensure that the data is secure. All data is stored in a centralized, secure repository, and access is strictly controlled through user permissions. This helps to protect sensitive data and ensure that it is only accessed by authorized users.

In addition to chemistry experiments, the analytical addon can also be used in biology experiments and custom experiments. No matter the type of experiment being conducted, the add-on helps to streamline the process of managing and analyzing data, saving time and resources for the researcher.

In this example, the chemist synthesises a new compound, which is written up in the ELN.

They have their product material, which now needs testing to confirm that it is what they expected to test its purity.

They create a work request within the Arxspan system indicating the analysis to be performed or the objective of the analysis. For example, the user has requested NMR and MS.

The work request generates a unique six digit alpha-numeric identification code, e.g., 1E2-4FF. The user takes the substance for testing and the code, and either goes to an instrument directly or sends it to an analysis lab.

The scientist or analyst places the sample in the instrument. The ID code is entered into the instrument to identify the sample and will become part of instrument output file name.

Analysis is performed and output file is written to a folder on the computer which is connected to the network.

The Analytical Module (which utilises Mestrelab Mgears) monitors the output folder on the computer looking for new files. When it sees a new file (or series of files depending on the type of output of the instrument) it grabs them and process them. The actual ‘processing steps’ can be configured. The output is an mnova file and a pdf report. The above example shows peak identification in NMR.

The output files (optionally including the original raw data file) are then automatically sent back to the Arxspan platform where, via the unique ID code, they are automatically attached to the original work request.

An email is sent by the system to the chemist to tell him/her that the analysis is complete.

When the chemist gets back to their computer, they can review the analysis and select to add the files as attachments to the original ELN experiment or link to the Analytical experiment before continuing the write up of the experiment.

Overall, the analytical add-on in Arxspan ELN is a valuable tool for scientists looking to efficiently document, analyze, and share their research. By automating the process of linking critical files and ensuring that the data is secure, the add-on helps to streamline the research process and make it easier to draw meaningful insights from the data.