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Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.38 Ratio PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 5.67 Ratio Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C14 ллÁË |
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dongyang5028
½ð³æ (ÕýʽдÊÖ)
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- ½ð±Ò: 864.3
- É¢½ð: 48
- ºì»¨: 4
- Ìû×Ó: 456
- ÔÚÏß: 32.1Сʱ
- ³æºÅ: 738523
- ×¢²á: 2009-04-02
- ÐÔ±ð: MM
- רҵ: ·ÖÎöÒÇÆ÷ÓëÊÔ¼Á
¡ï ¡ï
313309925(½ð±Ò+1,VIP+0): 12-11 09:54
eeqeeq0002(½ð±Ò+1,VIP+0):лл ²ÎÓë 12-13 16:15
313309925(½ð±Ò+1,VIP+0): 12-11 09:54
eeqeeq0002(½ð±Ò+1,VIP+0):лл ²ÎÓë 12-13 16:15
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simu 0.001 3.8 $c simu 0.001 3.8 $h ¾«ÐÞһϣ¬¾ÍûÓÐA B ÎÊÌâÁË¡£ |
3Â¥2009-12-11 08:29:44
jlu_huangl
Òø³æ (ÕýʽдÊÖ)
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- ½ð±Ò: 127.8
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2Â¥2009-12-11 00:12:03
313309925
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 347.8
- É¢½ð: 388
- Ìû×Ó: 436
- ÔÚÏß: 134.1Сʱ
- ³æºÅ: 705028
- ×¢²á: 2009-02-20
- ÐÔ±ð: GG
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´óÏÀ °´ÄãµÄ·½·¨ÓÖÓÐдíÎóÁË Alert level A PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C15 Given ........ ? --------------------------------------------------------------------------------Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.32 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.90 Ratio PLAT234_ALERT_4_B Large Hirshfeld Difference C7 -- C8 .. 0.26 Ang. -------------------------------------------------------------------------------- ÇëÖ¸µã ¶àл°¡ |

4Â¥2009-12-11 09:54:10
313309925
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 347.8
- É¢½ð: 388
- Ìû×Ó: 436
- ÔÚÏß: 134.1Сʱ
- ³æºÅ: 705028
- ×¢²á: 2009-02-20
- ÐÔ±ð: GG
- רҵ: ½ðÊôÓлú»¯Ñ§
|
PLAT220 Type_2 Test Ueq(max)/Ueq(Min) range for non-H atoms in non-solvent -------------------------------------------------------------------------------- This test reports on a larger than usual U(eq) range for the specified element type in the non-solvent/anion part of the structure. Too high or too low Ueq's may be an indication for incorrectly identified atomic species (i.e. O versus N). PLAT222 Type_3 Test Ueq(max)/Ueq(Min) range for H atoms in non-solvent -------------------------------------------------------------------------------- This test reports on a larger than usual range of U(eq) values for hydrogen atoms in the non-solvent/anion part of the structure. Possibe causes are: 1 - disorder, e.g. in t-butyl moieties. 2 - poor data, not adequate for the refinement of individual displacement parameters. 3 - Misplaced hydrogen atoms (i.e. there is no density at the position where one of the H-atoms is positioned). ÕâÊÇÏêϸÇé¿ö ²Î¿¼Ï ¶àлle |

5Â¥2009-12-11 09:56:03














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