Active phase of the project is completed by 20% in the first 24 days
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Message boards : News : Active phase of the project is completed by 20% in the first 24 days

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Vlad
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Message 323 - Posted: 12 Jul 2017, 20:28:27 UTC

Only about 0.2% of the obtained results should be recalculated due to bugs in the early versions of the apps (the results obtained with the version 1.04 mostly). All other results are included in the final database.

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Message 325 - Posted: 13 Jul 2017, 15:58:47 UTC - in response to Message 323.

All other results are included in the final database.


Not bad 20% in 24 days.
This is the beta part of the project??
Or when we'll finish the remaining 80%, the project will close?

Vlad
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Message 327 - Posted: 13 Jul 2017, 20:26:57 UTC - in response to Message 325.


Not bad 20% in 24 days.
This is the beta part of the project??
Or when we'll finish the remaining 80%, the project will close?

This is for the whole project, not for the beta part.

Reaching 100% will mean that we processed all the materials currently available in the COD (to be more precise only ~94% of COD contents can be processed). However, about 1500 new materials are added to the COD every month. These materials also should be processed. Current computing power allows to do that in less than 10 hours.

So, the project will not be closed completely, but the new WUs will be generated only once or twice per month to keep the database of the diffraction patterns in sync with the COD.

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Message 328 - Posted: 14 Jul 2017, 20:10:37 UTC - in response to Message 327.


Not bad 20% in 24 days.
This is the beta part of the project??
Or when we'll finish the remaining 80%, the project will close?

This is for the whole project, not for the beta part.

Reaching 100% will mean that we processed all the materials currently available in the COD (to be more precise only ~94% of COD contents can be processed). However, about 1500 new materials are added to the COD every month. These materials also should be processed. Current computing power allows to do that in less than 10 hours.

So, the project will not be closed completely, but the new WUs will be generated only once or twice per month to keep the database of the diffraction patterns in sync with the COD.


By Active phase you mean reaching 100% then another phase would be crunching the 1500 new materials as they come in?

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Message 329 - Posted: 14 Jul 2017, 20:34:55 UTC

That's great, having such a great impact always feels nice!

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Message 331 - Posted: 15 Jul 2017, 9:53:19 UTC - in response to Message 327.

Sounds good. I'll have myself open to accepting any new WU's. In fact, you can put me first on your list :) I love the cobblestones and the prospect of contributing to the entirety of a project.

Vlad, tell me this: when we have everything processed and all the substances computed and worked on... where might we see the results in the future? How, i.e., will this aid us in everyday life?

Having a great time computing... Cesium*...
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Vlad
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Message 332 - Posted: 15 Jul 2017, 11:44:46 UTC - in response to Message 331.

Sounds good. I'll have myself open to accepting any new WU's. In fact, you can put me first on your list :) I love the cobblestones and the prospect of contributing to the entirety of a project.

Vlad, tell me this: when we have everything processed and all the substances computed and worked on... where might we see the results in the future? How, i.e., will this aid us in everyday life?

Having a great time computing... Cesium*...

I hope that the open-access database of simulated x-ray and neutron diffraction patterns will help the researches who work in material science. At least they will be able to verify their experimental data (and the diffraction is one of the basic methods of analyzing the structure of material) with the results of simulation. Those who work with the nanocrystallites will be able to estimate the size of crystallites in their samples. Additionally, one can try to create the automated data processing service like this one but aimed at nanocrystalline samples, which will use the database of diffraction patterns we are creating.

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Message 333 - Posted: 15 Jul 2017, 15:07:53 UTC - in response to Message 331.

where might we see the results in the future? How, i.e., will this aid us in everyday life?


X-ray cristallography is used every day in a lot of scientific research, from new materials to protein folding. Example: fold.it

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Message 520 - Posted: 22 Sep 2017, 18:08:47 UTC - in response to Message 327.

to be more precise only ~94% of COD contents can be processed).



What are these leftover 6% materials and what prevents them from being processed?

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Message 522 - Posted: 22 Sep 2017, 20:04:49 UTC

I'm having trouble getting work. Server status shows no WU available.

Also the validator doesn't appear to be running. You might need to kick the server :)

Vlad
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Message 524 - Posted: 22 Sep 2017, 20:27:30 UTC - in response to Message 522.

I'm having trouble getting work. Server status shows no WU available.

Also the validator doesn't appear to be running. You might need to kick the server :)

Yes, I know, sorry for that. Please, see this, http://xansons4cod.com/xansons4cod/forum_thread.php?id=85

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Message 526 - Posted: 22 Sep 2017, 21:50:35 UTC - in response to Message 520.

to be more precise only ~94% of COD contents can be processed).

What are these leftover 6% materials and what prevents them from being processed?

The major problem is there are no data for x-ray atomic from-factors of some ions. There are also some minor problems, but they are solvable in principle.

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Message 527 - Posted: 23 Sep 2017, 0:10:28 UTC - in response to Message 524.


Yes, I know, sorry for that. Please, see this, http://xansons4cod.com/xansons4cod/forum_thread.php?id=85


Excellent solution ... things are working again :) Thank you!

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Message 531 - Posted: 24 Sep 2017, 0:31:08 UTC - in response to Message 526.


What are these leftover 6% materials and what prevents them from being processed?

The major problem is there are no data for x-ray atomic from-factors of some ions. There are also some minor problems, but they are solvable in principle.



Thanks for the info. Is this something you will explore at a future date so the database can be completed? (Just curious.)

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Message 541 - Posted: 24 Sep 2017, 21:50:29 UTC - in response to Message 531.


Thanks for the info. Is this something you will explore at a future date so the database can be completed? (Just curious.)

Yes, I hope that this problem will be solved in the future. There are some models for the atomic form-factors in the literature that can be used.

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Message 572 - Posted: 7 Oct 2017, 1:14:29 UTC - in response to Message 541.

Yes, I hope that this problem will be solved in the future. There are some models for the atomic form-factors in the literature that can be used.


Just wondering if you have any near-future plans to explore techniques to solve the examination of the remaining materials, even if they are just experiments in seeing if any current or future models work in any way (e.g. some models may not solve all, but they may solve certain subsets still)?

I was thinking it would be beneficial if we could try to finish up examining the remaining materials, or come as close as possible (we may well exhaust all potential techniques and hit a true impasse until the future).

~Y

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