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zhangyy427铜虫 (正式写手)
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[交流]
求A类错误
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_symmetry_cell_setting is missing The cell setting should be one of the following * triclinic * monoclinic * orthorhombic * tetragonal * rhombohedral * trigonal * hexagonal * cubic The following tests will not be performed. SYMMS_01,SYMMS_02 _symmetry_space_group_name_H-M is missing Space-group symbol, including unique axis. The following tests will not be performed. CELLZ_01,CHEMW_03,REFLT_03,SYMMG_01,SYMMG_02 _cell_measurement_reflns_used is missing Number of reflections used to measure unit cell. _cell_measurement_theta_min is missing Minimum theta of reflections used to measure unit cell. The following tests will not be performed. CELLT_01 _cell_measurement_theta_max is missing Maximum theta of reflections used to measure unit cell. The following tests will not be performed. CELLT_01 _exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 No crystal dimensions have been given. The following tests will not be performed. CRYSS_01,CRYSS_02 The magnitudes of the crystal dimensions do not match the min, mid and max definitions 这些A类错误是怎么回事啊 怎么改啊 |
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2楼2009-07-14 16:25:40
zhangyy427
铜虫 (正式写手)
- 应助: 0 (幼儿园)
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3楼2009-07-14 16:34:51
★ ★ ★ ★ ★ ★
zhangyy427(金币+5,VIP+0):非常感谢 明白了 呵呵 7-14 17:06
paopaomeng(金币+1,VIP+0):谢谢交流 7-15 07:30
zhangyy427(金币+5,VIP+0):非常感谢 明白了 呵呵 7-14 17:06
paopaomeng(金币+1,VIP+0):谢谢交流 7-15 07:30
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_exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 _exptl_crystal_description 输入形状 No crystal dimensions have been given. The following tests will not be performed. CRYSS_01,CRYSS_02 The magnitudes of the crystal dimensions do not match the min, mid and max definitions 没有晶体尺寸 在ins中： size 0.1 0.2 0.3 输入尺寸，以上是例子，shuruzijidechicun _cell_measurement_theta_min is missing Minimum theta of reflections used to measure unit cell. The following tests will not be performed. CELLT_01 _cell_measurement_theta_max is missing Maximum theta of reflections used to measure unit cell. The following tests will not be performed. CELLT_01 这两个很奇怪，怎么没有theta 角呢 期待高人指点 |
4楼2009-07-14 16:53:09
staphlee
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★ ★
小木虫(金币+0.5):给个红包，谢谢回帖交流
waiy2001(金币+1,VIP+0):还是奖励一下,呵呵 7-15 21:07
小木虫(金币+0.5):给个红包，谢谢回帖交流
waiy2001(金币+1,VIP+0):还是奖励一下,呵呵 7-15 21:07
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有兩個方法: 方法一: 在 .pcf file 裡面給的就直接是A,B,C的數值 _cell_measurement_reflns_used A _cell_measurement_theta_min B _cell_measurement_theta_max C 方法二: 在 *_0m.ls file裡面給的....以下提供一個例子在 *_0m.ls file 中的部分... Reflection Summary: 'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 9852 0 9852 6.5860 0.7100 6.186 60.068 這邊是給Min.2Th Max.2Th(6.186和60.068)這兩個要除以2就分別是方法一上面B和C的數值 Used 9852 就是上面方法一A的數值 用.pcf找A,B,C比較方便...就直接是那些數字了 用*_0m.ls file別忘了要除以二 |
5楼2009-07-15 08:43:49
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