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A cosine transform approach to indexing

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 212 Issue 2

Abstract

An approach to indexing is described which uses a cosine Fourier transform to obtain direct space cell vectors. The cosine function has the advantage of being relatively insensitive to small errors. A number of approaches are discussed for the generation of either (i) candidate direct space vectors themselves, or (ii) directional components of such vectors in order to reduce the three-dimensional transform to a one-dimensional one. In addition a method is described which makes effective use of known cell dimensions. It is shown that a modification of this method can be applied to discarded reflections in order to analyze for a rotational satellite or twin.

Published Online: 2010-7-28
Published in Print: 1997-2-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

Articles in the same Issue

  1. Single crystal neutron diffraction of decagonal Al72.5Co11Ni16.5
  2. A procedure for ab initio phasing of one-wavelength anomalous scattering data from proteins – combining direct methods with the solvent flattening technique
  3. A cosine transform approach to indexing
  4. Crystal structure of Cu12P20Br10, a polyphosphide containing a new phosphorus polymer
  5. Kommensurable Kompositstruktur des β-YbV4O81
  6. Über die Darstellung und die Kristallstruktur der Komplexverbindungen Ni(py)4F2 · 2H2O und Cu(py)4F2 · 1,33 HF · 2H2O
  7. Crystal structure and electrical property of (BEDT-TTF)5[Pt(SCN)4]
  8. Location of the proton in the very strong OHO hydrogen bonds in 2-(N,N-diethylamino-N-oxymethyl)-4,6-dichlorophenol. A single crystal neutron diffraction study
  9. Molecular cocrystals of carboxylic acids Part 24: cocrystals involving triphenylphosphine oxide: structures of the unique adduct hydrates of triphenylphosphine oxide with adamantane carboxylic acid and terephthalic acid, and the anhydrous adduct with o-phthalic acid1
  10. Redetermination of the crystal structure of strontium polyphosphate, [Sr2(PO3)4]
  11. Crystal structure of nickel lead selenide (3/2/2), Ni3Pb2Se2
  12. Crystal structure of neodymium platinum oxide (2/2/7), Nd2Pt2O7
  13. Crystal structure of dithulium trisulfide, Tm2S3-III
  14. Crystal structure of tris(mono-methylammonium)nonachlorodibismuthate(III), (CH3NH3)3Bi2Cl9
  15. Crystal structure of strontium catena-polyphosphate, [Sr(PO3)2]x
  16. Crystal structure of 6-[6-(6-amino-pyridine-2-yl)-hexyl]pyridine-2-ylamine, C16H22N4
  17. Crystal structure of 2-(2,5-dimethyl-pyrrol-1-yl)-phenylaminehemihydrate, C12H14N2 · 0.5 H2O
  18. Crystal structure of 9,10-bis(trimethylsiloxy)anthracene, C20H26O2Si2
  19. Crystal structure of 3-ethoxy-4-[(1′-ethyl-3′,3′-dimethylindoline-2′-ylidene)methyl]cyclobutene-1,2-dione, C19H21NO3
  20. Crystal structure of 4-(1′-ethyl-3′,3′-dimethylindoline-2′-ylidene)methyl-3-hydroxycyclobutene-1,2-dione, C17H17NO3
  21. Crystal structure of 3-ethoxy-4-[3′-ethyl-2(3H)benzothiazol-2′-ylidenemethyl]cyclobutene-1,2-dione, C16H15NO3S
  22. Crystal structure of 3,4-bis[(1′-ethyl-3′,3′-dimethylindoline-2′-ylidene)methyl]cyclobutene-1,2-dione, C30H32N2O2
  23. Crystal structure of 3a-methyl-7a-(trimethylsiloxy)-1-propenyl-octahydroinden-4-one, C16H28O2Si
  24. Crystal structure of 2,5a-dimethyl-3-trimethylsilyl-octahydro-1-oxa-cyclopenta[c]inden-6-one, C16H28O2Si
  25. Crystal structure of cis-bis(triphenylphosphine)platinum(II)-chloro-N-indazolate, PtCl[P(C6H5)3]2(C7H5N2)
  26. Crystal structure of but-2-en-1-yl-triphenylstannane, C22H22Sn
  27. Crystal structure of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxyxanthylium chloride trihydrate, [C23H21O5]+Cl− · 3H2O
  28. Crystal structure of triphenylmethylphosphonium triiodoplumbate, (P(C6H5)3(CH3))(PbI3)
  29. Crystal structure of 2-benzyloxyphenylisocyanide, C14H11NO
  30. Crystal structure of bisimidazolium tetrachloropalladate(II), [C3H5N2]2[PdCl4]
  31. Crystal structure of tetrakis[3,4;3′,4′-bis(propylenedithio)-2,2′,5,5′-tetra thiafulvalenium] nonabromotrimercurate, (C12H12S8)4(Hg2Br6)HgBr3
  32. Crystal structure of N-p-tolyl-5-iodo-4-methyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline, C16H18INO
  33. Crystal structure of (−)-(1R,4R,7S)-7-hydroxy-5-(p-toluenesulfonyl)-5-aza-2-oxabicyclo[2.2.1]heptane, C12H15NO4S
  34. Crystal structure of (−)-(5R,1S,2′S)-3-(1-O-benzyl-2,3-O-isopropylidene-1,2,3-dihydroxypropyl)-5-chloromethyl-4,5-dihydro-1,2-oxazole,C17H22NO4Cl
  35. Crystal structure of (−)-(4R,5R,1′S)-5-benzyloxy-4-methyl-3-(1-phenyl-ethyl)-tetrahydro-1,3-oxazine-2-one, C20H23NO3
  36. Crystal structure of trimethyl 2,3,5,6,7,8,9,10-octahydro-2,3-epoxy-benzocyclooctene-1,2,4-tricarboxylate, C18H22O7
https://doi.org/10.1524/zkri.1997.212.2.99

Articles in the same Issue

  1. Single crystal neutron diffraction of decagonal Al72.5Co11Ni16.5
  2. A procedure for ab initio phasing of one-wavelength anomalous scattering data from proteins – combining direct methods with the solvent flattening technique
  3. A cosine transform approach to indexing
  4. Crystal structure of Cu12P20Br10, a polyphosphide containing a new phosphorus polymer
  5. Kommensurable Kompositstruktur des β-YbV4O81
  6. Über die Darstellung und die Kristallstruktur der Komplexverbindungen Ni(py)4F2 · 2H2O und Cu(py)4F2 · 1,33 HF · 2H2O
  7. Crystal structure and electrical property of (BEDT-TTF)5[Pt(SCN)4]
  8. Location of the proton in the very strong OHO hydrogen bonds in 2-(N,N-diethylamino-N-oxymethyl)-4,6-dichlorophenol. A single crystal neutron diffraction study
  9. Molecular cocrystals of carboxylic acids Part 24: cocrystals involving triphenylphosphine oxide: structures of the unique adduct hydrates of triphenylphosphine oxide with adamantane carboxylic acid and terephthalic acid, and the anhydrous adduct with o-phthalic acid1
  10. Redetermination of the crystal structure of strontium polyphosphate, [Sr2(PO3)4]
  11. Crystal structure of nickel lead selenide (3/2/2), Ni3Pb2Se2
  12. Crystal structure of neodymium platinum oxide (2/2/7), Nd2Pt2O7
  13. Crystal structure of dithulium trisulfide, Tm2S3-III
  14. Crystal structure of tris(mono-methylammonium)nonachlorodibismuthate(III), (CH3NH3)3Bi2Cl9
  15. Crystal structure of strontium catena-polyphosphate, [Sr(PO3)2]x
  16. Crystal structure of 6-[6-(6-amino-pyridine-2-yl)-hexyl]pyridine-2-ylamine, C16H22N4
  17. Crystal structure of 2-(2,5-dimethyl-pyrrol-1-yl)-phenylaminehemihydrate, C12H14N2 · 0.5 H2O
  18. Crystal structure of 9,10-bis(trimethylsiloxy)anthracene, C20H26O2Si2
  19. Crystal structure of 3-ethoxy-4-[(1′-ethyl-3′,3′-dimethylindoline-2′-ylidene)methyl]cyclobutene-1,2-dione, C19H21NO3
  20. Crystal structure of 4-(1′-ethyl-3′,3′-dimethylindoline-2′-ylidene)methyl-3-hydroxycyclobutene-1,2-dione, C17H17NO3
  21. Crystal structure of 3-ethoxy-4-[3′-ethyl-2(3H)benzothiazol-2′-ylidenemethyl]cyclobutene-1,2-dione, C16H15NO3S
  22. Crystal structure of 3,4-bis[(1′-ethyl-3′,3′-dimethylindoline-2′-ylidene)methyl]cyclobutene-1,2-dione, C30H32N2O2
  23. Crystal structure of 3a-methyl-7a-(trimethylsiloxy)-1-propenyl-octahydroinden-4-one, C16H28O2Si
  24. Crystal structure of 2,5a-dimethyl-3-trimethylsilyl-octahydro-1-oxa-cyclopenta[c]inden-6-one, C16H28O2Si
  25. Crystal structure of cis-bis(triphenylphosphine)platinum(II)-chloro-N-indazolate, PtCl[P(C6H5)3]2(C7H5N2)
  26. Crystal structure of but-2-en-1-yl-triphenylstannane, C22H22Sn
  27. Crystal structure of 9-(2,6-dimethoxyphenyl)-1,8-dimethoxyxanthylium chloride trihydrate, [C23H21O5]+Cl− · 3H2O
  28. Crystal structure of triphenylmethylphosphonium triiodoplumbate, (P(C6H5)3(CH3))(PbI3)
  29. Crystal structure of 2-benzyloxyphenylisocyanide, C14H11NO
  30. Crystal structure of bisimidazolium tetrachloropalladate(II), [C3H5N2]2[PdCl4]
  31. Crystal structure of tetrakis[3,4;3′,4′-bis(propylenedithio)-2,2′,5,5′-tetra thiafulvalenium] nonabromotrimercurate, (C12H12S8)4(Hg2Br6)HgBr3
  32. Crystal structure of N-p-tolyl-5-iodo-4-methyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline, C16H18INO
  33. Crystal structure of (−)-(1R,4R,7S)-7-hydroxy-5-(p-toluenesulfonyl)-5-aza-2-oxabicyclo[2.2.1]heptane, C12H15NO4S
  34. Crystal structure of (−)-(5R,1S,2′S)-3-(1-O-benzyl-2,3-O-isopropylidene-1,2,3-dihydroxypropyl)-5-chloromethyl-4,5-dihydro-1,2-oxazole,C17H22NO4Cl
  35. Crystal structure of (−)-(4R,5R,1′S)-5-benzyloxy-4-methyl-3-(1-phenyl-ethyl)-tetrahydro-1,3-oxazine-2-one, C20H23NO3
  36. Crystal structure of trimethyl 2,3,5,6,7,8,9,10-octahydro-2,3-epoxy-benzocyclooctene-1,2,4-tricarboxylate, C18H22O7
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