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Electronic Lab Notebook (ELN) Integration

If you have followed ACD/Labs for years you may have come across the following older press releases at one point or another:

http://www.acdlabs.com/clients/pr_cs1002.html

http://chembionews.cambridgesoft.com/Articles/Default.aspx?articleID=269

Over the last few years, it seems that more and more organizations are making the decision to deploy an ELN. The choices are many, and not limited to Cambridge Soft of course (to name a few others). I thought I would take this opportunity however to share with you some of the integration that is possible between Cambridge Soft’s E-Notebook and ACD/Labs tools.

While many organizations are busy evaluating different ELN offerings and understanding how it will work in their environment, some are not thinking about how these packages will work with their analytical data. Will a chemist simply be responsible for copy and pasting valuable pieces of a report into their notebooks? Should there be a link to the live or archived data?  Should users be able to access their data right in the ELN interface? Many possibilities and I will highlight one that is available thanks to ACD/Labs SpecX technology and Cambridge Soft’s ELN.

For an explanation of what exactly SpecX can do, go here:

http://www.acdlabs.com/products/glob_sol_lab/activex/specx/

As far as demonstrating the integration, I’ll just add a couple of screenshots to wet your appetite:

A screenshot of a 1H NMR and MS spectrum. Note you can freely zoom in or zoom out on different regions of the spectra (click images to enlarge):

Eln_image2

By right clicking on the spectrum, you can explore several other options:

Eln_image3

For example, you can access all of the data tables available in the ACD/Labs Processor such as tables of assignments, peaks, multiplets, annotations, etc.

Eln_image5_2

Perhaps the coolest feature is if you select the edit option in the drop down menu. This will launch the file in the ACD/1D NMR Processor application so that the user can make modifications to their spectra.

You can also store both the fully processed data as well as the raw data. Of course these can be easily processed and updated in the ACD/1D NMR Processor as well:

Eln_image7

Here’s a short video (no audio) download of the CS and SpecX integration in action (my japanese readers will be pleased to see the interface is japanese! I apologize to all others, it’s all I have at the moment).

Of course there are many other options to tie your analytical data handling in with your ELN practices, I will post more as the months go by. In the meantime, my colleague Andrew Anderson presented at out ENC User Meeting back in April on, "E-Lab Notebook Integration- Leveraging ACD/Labs Tools to Enhance a Paperless Environment". Check it out!

Do you already have a good solution in your organization? Trying to find one?  Feel free to share your stories, challenges, and expectations in the comments section of this post.

Thanks to Arvin and Furuta-san for the images and video!