| Re: [science-iwg] Review BoF EclipseCon |
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Hi Matt, I think that's a great idea to have APIs and abstract respectively generalized methods and views for 2D and 3D data. Attached are two screenshots of DAWN and OpenChrom. Both screenshots show profiles, despite the fact that both have completely different data models (XRD and GC/MS). Hence, it would be great to have an unified and flexible API. Moreover, it would be great use the existing knowledge and to build upon the interfaces and methods that are already available in DAWN, Bioclipse, OpenChrom and others. ---------------------------------- Profile Views ---------------------------------- 2D / 3D Variable measurement units and descriptions for each Axis 1st Derivative 2nd Derivative ... Overlay ---------------------------------- Profile Methods ---------------------------------- Smoothing Algorithms (Savitzky-Golay, ...) Peak Detektion (1st Derivative, ..., Deconvolution, ...) Peak Integration (Gaussian model, ...) Peak Fitting (Correlation Optimized Warping, Dynamic Time Warping, ...) ... In my opinion, such abstract handling of profile data would make it much more easier for others (students, post-docs, scientists, ...) to implement additional algorithms. Furthermore, data from different detectors like XRD, NMR, GC/FID, GC/MS MS/MS could be handled in an unified way as long as it produces profile data. In addition, all specific calculations can still be executed by specialized frameworks for e.g. XRD (DAWN) or GC/MS (OpenChrom). Wouldn't that be great? “As long as your going to be thinking anyway, think big.” Donald Trump Cheers, Philip Am 01.11.2013 16:09, schrieb
Matt.Gerring@xxxxxxxxxxxxx:
Hi Philip, Yes it was a very positive step, well done in getting it organised. I am willing to write the documents and circulate these for agreement as we agreed. Diamond are able and, subject to review, interested in providing interfaces and a reference implementation for all of the features mentioned in the meeting, including everything in Jans recent email. I have a concrete idea of how this could happen and we can detail this in the documents. We would obviously start gradually so that the searches of license agreement can be performed on each API provided. In fact even more gradual than that - we should agree on interfaces of each module, I can provide the starting point for these too including examples of how to use the API. The APIs are elegant and powerful to use and I hope you will like them. Since the talk I did at eclipse con was not busily attended, I am looking forward to the video of the demonstration being available on the youtube channel. Then people can see how cool the features the team here has worked on are, and decide if they are interested in working with us. Best Regards, Matt -----Original Message----- From: science-iwg-bounces@xxxxxxxxxxx [mailto:science-iwg-bounces@xxxxxxxxxxx] On Behalf Of Philip Wenig Sent: 01 November 2013 13:17 To: science-iwg@xxxxxxxxxxx Subject: [science-iwg] Review BoF EclipseCon Hi folks, the BoF was fantastic, wasn't it! I really feel that the time has come to bring our idea of a scientific working group to reality :-). Best Philip -- ~~~~~~~~~~~~~~~~~~~~~~~~ Dr. Philip Wenig http://www.openchrom.net https://www.xing.com/profile/Philip_Wenig http://de.linkedin.com/pub/philip-wenig/2a/4a8/877 ~~~~~~~~~~~~~~~~~~~~~~~~ |
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