013-精修A,B类错误的技巧.docVIP

013晶体解析心得精修AB类错误的技巧 HYPERLINK javascript:makeHelpWindow(%22PLAT412.html%22) PLAT412_ALERT_2_C Short Intra XH3 .. XHn H9 .. H13C .. 1.87 Ang. 对策：在Ins文件中添加Dfix 2.45 0.01 h9 h13c 指令，XL? XL. (尝试调整比1.87大的数) 范例：wq-5-36-2 HYPERLINK javascript:makeHelpWindow(%22PLAT413.html%22) PLAT413_ALERT_2_B Short Inter XH3 .. XHn H2D .. H2D .. 2.06 Ang. 对策：在Ins文件中添加Dfix 2.52 0.01 h2d h2d 指令，XL? XL. (尝试调整比2.06大的数) 范例：Wq1-5 HYPERLINK javascript:makeHelpWindow(PLAT430.html) PLAT430_ALERT_2_B Short Inter D...A Contact O2 .. N1 .. 2.66 Ang. dfix 2.80 0.01 o2 n1 HYPERLINK javascript:makeHelpWindow(PLAT230.html) PLAT230_ALERT_2_B Hirshfeld Test Diff for O2 -- C10 .. 7.15 su HYPERLINK javascript:makeHelpWindow(PLAT431.html) PLAT431_ALERT_2_C Short Inter HL..A Contact Cl1 .. N3 .. 3.11 Ang. dfix 2.90 0.01 o2 n1 无B类错误,但是 HYPERLINK javascript:makeHelpWindow(PLAT431.html) PLAT431_ALERT_2_C Short Inter HL..A Contact Cl1 .. N3 .. 3.11 Ang. ---OK dfix 3.00 0.01 o2 n1 无B类错误,但是 HYPERLINK javascript:makeHelpWindow(PLAT431.html) PLAT431_ALERT_2_C Short Inter HL..A Contact Cl1 .. N3 .. 3.11 Ang. ---OK dfix 3.10 0.01 o2 n1 无B类错误,但是 HYPERLINK javascript:makeHelpWindow(PLAT430.html) PLAT430_ALERT_2_C Short Inter D...A Contact O2 .. N1 .. 2.90 Ang. ---OK 范例：p16-9 HYPERLINK javascript:makeHelpWindow(%22PLAT230.html%22) PLAT230_ALERT_2_B Hirshfeld Test Diff for O9 -- C29 .. 7.97 su 对策：在Ins文件中添加 Delu 0.02 0.01 o9 c29 指令，XL? XL. (0.02 0.01必需成倍数关系) 范例：f10, f15-2, e75 HYPERLINK javascript:makeHelpWindow(%22PLAT232.html%22) PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cu1 -- Cl1 .. 13.26 su delu 0.01 0.005 cu1 cl1 HYPERLINK javascript:makeHelpWindow(%22PLAT220.html%22) PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.07 Ratio 对策：在Ins文件中添加simu 0.005 0.01 3.8 $c 指令，XL? XL (0.005 0.01必需成倍数关系) 范例：e75