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| Description
| - With progress in the experimental methods the number of known modulated structures has grown amazingly. Most of them are refined using the system Jana that integrates tools for aperiodic crystallography into a single software package. The main purpose ofthis project is to implement the generalized direct methods for the solution of the phase problem into Jana. They will work either in the reciprocal space (classical direct methods) or in the direct space (the charge flipping method) yielding in both cases not only the average crystal structure but also its initial modulation functions. This fills the gap still existing in the tools available in the current version of Jana2000. Furthermore, we shall respond to the trend of complementary measurements by enabling combination of X-ray, synchrotron and neutron data. We shall provide the system Jana with a set of wizards for easy navigation through the program options that will open the system for crystallographers not specialized in the aperiodic (en)
- S pokrokem experimentálních metod vzrostl neobvykle počet známých modulovaných struktur. K upřesňování většiny z nich se používá výpočetní systém Jana, který integruje v jednom programovém balíku nástroje aperiodické krystalografie. Hlavním cílem tohoto projektu je implementovat do systému Jana zobecněné přímé metody. Tyto metody budou používány jednak v reciprokém prostoru (klasické přímé metody), jednak v přímém prostoru (metoda převracení náboje). V obou případech povedou ke zjištění nejen průměrné struktury, ale také k určení výchozích modulačních funkcí. Tím bude vyplněna mezera, která dosud zůstávala v možnostech programu Jana2000. Kromě toho - jako odpověď na současný trend doplňkových měření - umožníme kombinaci dat z difrakce rentgenového, synchrotronového a neutronového záření. Program Jana bude vybaven sadou průvodců sloužící k lepší orientaci v programové nabídce, což usnadní užívání systému krystalografům, kteří nejsou specializováni v oboru aperiodické krystalografie. Zdrojový kód
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| Title
| - Universal methods for solution of periodic and aperiodic structures in the recioprocal and direct space (en)
- Univerzální metody pro řešení periodických a aperiodických struktur v reciprokém a přímém prostoru
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| skos:notation
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| http://linked.open...avai/cep/aktivita
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| http://linked.open...kovaStatniPodpora
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| http://linked.open...ep/celkoveNaklady
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| http://linked.open...datumDodatniDoRIV
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| http://linked.open...i/cep/druhSouteze
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| http://linked.open...ep/duvernostUdaju
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| http://linked.open.../cep/fazeProjektu
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| http://linked.open...ai/cep/hlavniObor
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| http://linked.open...hodnoceniProjektu
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| http://linked.open...vai/cep/kategorie
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| http://linked.open.../cep/klicovaSlova
| - X-ray diffraction; aperiodic structures; direct methods; magnetic structures; charge flipping (en)
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| http://linked.open...ep/partnetrHlavni
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| http://linked.open...inujicichPrijemcu
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| http://linked.open...cep/pocetPrijemcu
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| http://linked.open...ocetSpoluPrijemcu
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| http://linked.open.../pocetVysledkuRIV
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| http://linked.open...enychVysledkuVRIV
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| http://linked.open...lneniVMinulemRoce
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| http://linked.open.../prideleniPodpory
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| http://linked.open...iciPoslednihoRoku
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| http://linked.open...atUdajeProjZameru
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| http://linked.open.../vavai/cep/soutez
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| http://linked.open...usZobrazovaneFaze
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| http://linked.open...ai/cep/typPojektu
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| http://linked.open...ep/ukonceniReseni
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| http://linked.open...ep/zahajeniReseni
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| http://linked.open...jektu+dodavatelem
| - The main aim of the project, a complete innovation of the program system Jana2000 and its application to difficult regular and modulated phases, has been achieved. The new version called Jana2006 has been positively accepted by the crystallographic commu (en)
- Hlavního cíle projektu, úplné inovace programového systému Jana2000 a jeho aplikace na obtížné regulární a modulované struktury, bylo dosaženo. Nová verze nazývaná Jana2006 byla pozitivně přijata krystalografickou obcí. V souladu s plánem byl dr.Palatinu (cs)
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| http://linked.open...tniCyklusProjektu
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| http://linked.open.../cep/klicoveSlovo
| - X-ray diffraction
- aperiodic structures
- direct methods
- magnetic structures
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| is http://linked.open...vavai/riv/projekt
of | - Growth-induced incommensurability observed in the organic co-crystal hexamethylenetetramine resorcinol
- Structural properties of Sr0.61Ba0.39Nb2O6 in the temperature range 10-500 K investigated by high-resolution neutron powder diffraction and specific heat measurements
- First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
- Commensurate (C6H14N2)2[Mo8O26].4H2O and incommensurate (C6H14N2)2[Mo8O26].4.66H2O: a structural versatility linked to solvent content
- Effect of crystal freezing and small-molecule binding on internal cavity size in a large protein: X-ray and docking studies of lipoxygenase at ambient and low temperature at 2.0 angstrom resolution
- Neutron diffraction shows a photoinduced isonitrosyl linkage isomer in the metastable state SI of Na 2[Fe(CN) 5NO].2D 2O
- Superspace-symmetry determination and multidimensional refinement of the incommensurately modulated structure of natural fresnoite
- Jana2006 - the crystallographic computing system
- SUPERFLIP - a computer program for the solution of crystal structures by charge flipping in arbitrary dimension
- Microstrain-like diffraction-line broadening as exhibited by incommensurate phases in powder diffraction patterns
- Composite behavior and multidegeneracy in high-pressure phases of Cs and Rb
- Crystallization of recombinant bifunctional nuclease TBN1 from tomato
- Two-dimensional lanthanide coordination polymers with bis(diphenylphosphino)hexane dioxide. The determination of the polymeric structure from twinned crystals
- Cubic octanuclear aluminum fluoride phosphonate
- Dilead(II) hydrogenphosphite dinitrate
- Ni2Si(P2O7)2.
- Hydrothermal synthesis, structural and physico-chemical characterizations of two Nasicon phosphates: M0,50IITi2(PO4)3 (M = Mn, Co)
- Bis(di-2-pyridylamine- κ2N2,N2´)-(nitrato- κ2O,O´)nickel(II) nitrate
- The incommensurately modulated crystal structure of β-Pb2BiVO6: interpretation of the phase transition α β δ and conduction properties of related materials
- A modulated crystal structure in Rb2ZnX4 (X = Cl, Br) - a neutron time-of-flight single-crystal study
- Simultaneous refinement of two components of an exsolution intergrowth: Crystal structures of the lindstromite-krupkaite pair
- Neutron photocrystallography: simulation and experiment
- Crystal structure of a synthetic tin-selenium representative of the cylindrite structure type
- Reducing the positional modulation of NbO6-octahedra in SrxBa1-xNb2O6 by increasing the barium content: A single crystal neutron diffraction study at ambient temperature for x=0.61 and x=0.34
- Ammonium ytterbium(III) diphosphate(V)
- N-(2-Phenylimidazo[1,2-a]pyridin-3-yl)acetamide
- 2-Phenylimidazo[1,2-a]pyridine-3-carbaldehyde
- Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide
»more» |
| is http://linked.open...vavai/cep/projekt
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