#checkCIF - Twitter Hashtag

ECSañudo @ecsanudo.bsky.social @ecsanudo

almost 2 years ago

how much do I hate water in crystal structures? a lot really! #checkcif pain day

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Structural Chemistry @ActaCrystC

over 2 years ago

Mythical compounds @ActaCrystC @IUCr https://t.co/kday42P44J @PurdueChemistry @LifeAtPurdue #crystallographicerror #atommisassignment #incorrectmodeling #disordered #guestmolecule #incorrectspacegroup #incorrectcellsize #checkCIF #crystallography #openaccess

ActaCrystC's tweet photo. Mythical compounds @ActaCrystC @IUCr https://t.co/kday42P44J @PurdueChemistry @LifeAtPurdue #crystallographicerror #atommisassignment #incorrectmodeling #disordered #guestmolecule #incorrectspacegroup #incorrectcellsize #checkCIF #crystallography #openaccess https://t.co/lBM2s0Eaaj

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Structural Chemistry @ActaCrystC

almost 3 years ago

Pathological crystal structures @ActaCrystC @IUCr https://t.co/p3Y2PWJDCi @UCBerkeley @UCB_Chemistry @ChemistryUIUC #crystallographicerror #atommisassignment #incorrectmodel #disordered #incorrectspacegroup #incorrectcellsize #checkCIF #crystallography #openaccess

ActaCrystC's tweet photo. Pathological crystal structures @ActaCrystC @IUCr https://t.co/p3Y2PWJDCi @UCBerkeley @UCB_Chemistry @ChemistryUIUC #crystallographicerror #atommisassignment #incorrectmodel #disordered #incorrectspacegroup #incorrectcellsize #checkCIF #crystallography #openaccess https://t.co/coBpR9FRm6

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Paul Klar @Alnitak42

almost 4 years ago

@NanedP @IUCr Very glad to see progress on this side. #3DED really needs an adapted #checkCIF. Currently, I use the field _refine_special_details for thickness, data sets, and post-refinement calculation of symmetry-averaged R-factors.

Alnitak42's tweet photo. @NanedP @IUCr Very glad to see progress on this side. #3DED really needs an adapted #checkCIF. Currently, I use the field _refine_special_details for thickness, data sets, and post-refinement calculation of symmetry-averaged R-factors. https://t.co/54QB0y6TpR

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Marcelo Andrad @mabadean

about 6 years ago

#structuredetermination #checkCIF #crystallography @usponline @IUCr Obtaining the best results: aspects of data collection, model finalization and interpretation of results in small-molecule crystal-structure determination https://t.co/nlCcO5h6Xz

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Franziska Emmerling @FranEmmerling

over 7 years ago

Hi #crystallography tweeps. Has anyone a solution for minimizing the #checkcif battle with structures solved from PXRD and refined with #TOPAS (v6)? Patience is very low. I'll send gummibaers.