Automated Crystal Structure Validation - National Single Crystal X ...

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www.cryst.chem.uu.nl/platon/CIF-VALIDATION.pdf

www.cryst.chem.uu.nl/platon/FCF-VALIDATION.pdf

• Papers on structure validation:

• A.L.Spek (2003). J. Appl. Cryst. 36, 7-13.

• A.L.Spek (2009). Acta Cryst. D65, 148-155.

Why Crystal Structure Validation - National Single Crystal X-ray Facility

The PLATON Tool - National Single Crystal X-ray Facility

Comparison of the Observed data for two ‘isomorphous’ compounds. Tool: platon –d name1.fcf name2.fcf The Only Difference Is the SCALE ! Conclusion The Same Data ! SLOPPY Or FRAUD

Info www.cryst.chem.uu.nl/platon/CIF-VALIDATION.pdf www.cryst.chem.uu.nl/platon/FCF-VALIDATION.pdf • Papers on structure validation: • A.L.Spek (2003). J. Appl. Cryst. 36, 7-13. • A.L.Spek (2009). Acta Cryst. D65, 148-155.

Page 1 and 2: Automated Crystal Structure Validat
Page 3 and 4: Is this a reasonable ORTEP Rotate
Page 5 and 6: The CIF Standard Solution • The I
Page 7 and 8: How is Validation Currently Impleme
Page 9 and 10: VALIDATION ALERT TYPES 1 - CIF Cons
Page 12 and 13: Which Key Validation Issues are Add
Page 14 and 15: Evaluation and Performance • The
Page 16 and 17: Sloppy, Novice or Fraudulent • E
Page 18 and 19: NO 2
Page 20 and 21: The Ultimate Shame • Recently a w

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