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lili8023

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  • ¸½¼þ 1 : 1.zip
  • 2014-07-30 10:59:48, 1.16 M

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gkmuse

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

ÈýÒÒ»ù¹è±£»¤È²? ÈýÒÒ»ùÎÞÐò, ±È½ÏÄѾ«ÐÞµÄ.
»­³ö½á¹¹³öÀ´, ·ñÔòÔªËØ±ê¼Ç, Ò²ÊǺÜÄѵÄ.

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C-H
2Â¥2014-07-30 12:31:22
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gkmuse

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

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¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÐÂÊÖÁ·Ï°, ½ö¹©²Î¿¼.

The report of checkCIF,

Alert level A
EXPT009_ALERT_1_A  No crystal dimensions have been given.
            The following tests will not be performed.
            CRYSS_01,CRYSS_02
EXPT108_ALERT_1_A  The magnitudes of the crystal dimensions do not
            match the min, mid and max definitions
Alert level B
            Crystal system given = monoclinic
PLAT019_ALERT_1_B  _diffrn_measured_fraction_theta_full/_max < 1.0      0.884 Report
PLAT242_ALERT_2_B Low       Ueq as Compared to Neighbors for .....        Si1 Check
Alert level C
RFACG01_ALERT_3_C  The value of the R factor is > 0.10
            R factor given   0.101
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.334
THETM01_ALERT_3_C  The value of sine(theta_max)/wavelength is less than 0.590
            Calculated sin(theta_max)/wavelength =    0.5762
PLAT053_ALERT_1_C Minimum Crystal Dimension Missing (or Error) ...     Please Check
PLAT054_ALERT_1_C Medium  Crystal Dimension Missing (or Error) ...     Please Check
PLAT055_ALERT_1_C Maximum Crystal Dimension Missing (or Error) ...     Please Check
PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ...................       0.33 Report
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.51 Report
PLAT220_ALERT_2_C Large Non-Solvent  C     Ueq(max)/Ueq(min) Range        3.6 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     --  C5      ..        6.0 su   
PLAT241_ALERT_2_C High      Ueq as Compared to Neighbors for .....        C14 Check
PLAT242_ALERT_2_C Low       Ueq as Compared to Neighbors for .....        C13 Check
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0051 Ang.

A Àà´íÎó, ÊÇÒòΪÄãµÄÐÅϢȱʧ. Ò»°ã½âÎöÕß, ËæÒâÌî¸öSizeÊý¾ÝÒ²¿É.  

BÀà´íÎó, ²Î¼û´ËÌû http://muchong.com/bbs/viewthread.php?tid=5870913&fpage=1&target=blank

ä½âÏ൱·ÑʱµÄ, ÐèÒªÒ»µãµã³¢ÊÔ. Ï£ÍûÂ¥Ö÷ÒÔºóÇóÖúµÄ»°, ÉϽṹ°É.

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  • ¸½¼þ 1 : lili8023.zip
  • 2014-07-30 17:31:35, 4.39 M

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

C-H
8Â¥2014-07-30 17:33:32
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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sunzan

ÖÁ×ðľ³æ (ÖªÃû×÷¼Ò)

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3Â¥2014-07-30 14:49:49
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lili8023

Ìú³æ (СÓÐÃûÆø)

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ÒýÓûØÌû:
3Â¥: Originally posted by sunzan at 2014-07-30 14:49:49
¶¼²»¸ø³ö½á¹¹£¬Ïë°ïÄ㶼û·¨°ï

haishi ллÄã
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4Â¥2014-07-30 15:52:26
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lili8023

Ìú³æ (СÓÐÃûÆø)

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Ëͺ컨һ¶ä
ÒýÓûØÌû:
2Â¥: Originally posted by gkmuse at 2014-07-30 12:31:22
ÈýÒÒ»ù¹è±£»¤È²? ÈýÒÒ»ùÎÞÐò, ±È½ÏÄѾ«ÐÞµÄ.
»­³ö½á¹¹³öÀ´, ·ñÔòÔªËØ±ê¼Ç, Ò²ÊǺÜÄѵÄ.

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5Â¥2014-07-30 15:53:56
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lili8023

Ìú³æ (СÓÐÃûÆø)

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ÒýÓûØÌû:
2Â¥: Originally posted by gkmuse at 2014-07-30 12:31:22
ÈýÒÒ»ù¹è±£»¤È²? ÈýÒÒ»ùÎÞÐò, ±È½ÏÄѾ«ÐÞµÄ.
»­³ö½á¹¹³öÀ´, ·ñÔòÔªËØ±ê¼Ç, Ò²ÊǺÜÄѵÄ.

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6Â¥2014-07-30 15:54:18
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qiuw001

Òø³æ (СÓÐÃûÆø)


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7Â¥2014-07-30 17:12:58
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lili8023

Ìú³æ (СÓÐÃûÆø)

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Ëͺ컨һ¶ä
ÒýÓûØÌû:
8Â¥: Originally posted by gkmuse at 2014-07-30 17:33:32
ÐÂÊÖÁ·Ï°, ½ö¹©²Î¿¼.

The report of checkCIF,

Alert level A
EXPT009_ALERT_1_A  No crystal dimensions have been given.
            The following tests will not be performed.
            CRYSS_ ...

ÄãÄܰïÎÒ°ÑTIPS»ùÍÅÉÏÃæµÄÇâµÄ¸öÊý¼õÉÙÒ»ÏÂÂ𠣬°ÝÍÐÁË
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9Â¥2014-07-30 18:33:36
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lili8023

Ìú³æ (СÓÐÃûÆø)

³¬¼¶±¿³æ

ÒýÓûØÌû:
8Â¥: Originally posted by gkmuse at 2014-07-30 17:33:32
ÐÂÊÖÁ·Ï°, ½ö¹©²Î¿¼.

The report of checkCIF,

Alert level A
EXPT009_ALERT_1_A  No crystal dimensions have been given.
            The following tests will not be performed.
            CRYSS_ ...

»­µÄ½á¹¹ÈçÉÏ£¬Âé·³ÁË
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10Â¥2014-07-30 18:39:51
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lili8023 µÄÖ÷Ìâ¸üÐÂ
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