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Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C3     --  C6      ..        7.6 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C7     --  C8      ..        8.0 su
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The components of the anisotropic displacement parameters along chemical
bonds are assumed to be equal in magnitude. Large differences might
indicate contamination of these parameters with other (unresolved) effects
such as (substitutional) disorder, model or data errors and/or
over-refinement. Atomic sites assigned the wrong scattering type (e.g. Ag
versus Br) should generate 'problem signals' with this test. Data sets
corrected for absorption effects with DELREF techniques (e.g. DIFABS, SHELXA,
XABS2) often show large DELU values for bonds involving the heaviest atom.
Note: The original 'Hirshfeld-test' was defined in absolute terms (see
F.L.Hirshfeld, Acta Cryst. (1976). A32, 239-244). The current test is with
reference to the associated standard uncertainty.
2Â¥2013-11-20 05:43:33
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Hirshfeld Test Diff for          C3     --  C6      ..        7.6 su     

½â¾ö·½·¨£ºins ÎļþÀï¼ÓÈë delu 0.02   C3   C6
3Â¥2013-11-20 08:45:39
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Ñ©»¨·×·Ò: ½ð±Ò+5, ¡ï¡ï¡ïºÜÓаïÖú 2013-11-20 11:57:12
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4Â¥2013-11-20 09:47:17
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½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by forever1706 at 2013-11-20 05:43:33
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The components of the anisotropic displacement parameters along chemical
bonds are assumed to be equal in magnitude. Large differences might
indicate contamin ...

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5Â¥2013-11-20 11:56:28
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forever1706

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ÒýÓûØÌû:
4Â¥: Originally posted by ±ùÈÐ001 at 2013-11-20 09:47:17
3Â¥Õý½â£¬µ«0.02²»Ò»¶¨Äܽâ¾ö£¬¿ÉÓÃ0.01 »òÕß0.001ÊÔÊÔ¡£

xue xi le ...

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6Â¥2013-11-20 19:28:39
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ÒýÓûØÌû:
6Â¥: Originally posted by forever1706 at 2013-11-20 19:28:39
xue xi le ......

OK ,thank you very much
7Â¥2013-11-21 10:37:12
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