| Line 27 was replaced by line 27 |
| - {{> REAK CLEAR}} |
| + {{> PEAK CLEAR}} |
| Lines 68-97 were replaced by line 68 |
| - |
| - {{{ |
| - > CELL 2.88 2.88 2.88 90 90 90 |
| - }}} |
| - ''Find the peak 2 0 0 and optimize it. Once we are at the maximum:'' |
| - {{{> PEAK 2 0 0 |
| - Peak QH QK QL A4 A3 SGL SGU |
| - A 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 |
| - }}} |
| - ''Find the peak 0 4 4 and optimize it. Once we are at the maximum:'' |
| - {{{ > PEAK 0 4 4 |
| - Peak QH QK QL A4 A3 SGL SGU |
| - B 0.00 4.00 4.00 65.31 -87.21 1.25 -5.22 |
| - > LISTUB |
| - Cell 2.88 2.88 2.88 90.00 90.00 90.00 |
| - Peak QH QK QL A4 A3 SGL SGU |
| - A 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 |
| - B 0.00 4.00 4.00 99.45 20.39 4.25 -1.22 |
| - UB 1.000 0.000 0.000 |
| - 0.000 1.000 0.000 |
| - 0.000 0.000 1.000 |
| - }}} |
| - ''UB matrix is not yet defined'' |
| - {{{> CALCUB A B |
| - UB 2.456 0.530 -0.200 |
| - -0.530 2.456 -0.090 |
| - 0.200 0.090 2.456 |
| - Peak QH QK QL A4 A3 SGL SGU QH QK QL |
| - A 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 2.03 0.00 0.00 |
| - B 0.00 4.00 4.00 99.45 20.39 4.25 -1.22 0.02 3.95 4.03 |
| + {{{> CELL 2.88 2.88 2.88 90 90 90 |
| Lines 99-106 were replaced by lines 70-86 |
| - ''the last 3 columns are the Q values calcualted back from the angles'' |
| - {{{> MAKEUB |
| - > DR QH 2.03 0.00 0.00 |
| - > PR A4 A3 SGL SGU |
| - A4 = 65.311 |
| - A3 = -87.215 |
| - SGL = 1.258 |
| - SGU = -5.217 |
| + ;:''Find the peak 2 0 0 and optimize it. Once we are at the maximum:'' |
| + {{{> PEAK 2 0 0 |
| + Peak QH QK QL A4 A3 SGL SGU |
| + A 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 |
| + }}} |
| + ''Find the peak 0 4 4 and optimize it. Once we are at the maximum:'' |
| + {{{> PEAK 0 4 4 |
| + Peak QH QK QL A4 A3 SGL SGU |
| + B 0.00 4.00 4.00 65.31 -87.21 1.25 -5.22 |
| + > LISTUB |
| + Cell 2.88 2.88 2.88 90.00 90.00 90.00 |
| + Peak QH QK QL A4 A3 SGL SGU |
| + A 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 |
| + B 0.00 4.00 4.00 99.45 20.39 4.25 -1.22 |
| + UB 1.000 0.000 0.000 |
| + 0.000 1.000 0.000 |
| + 0.000 0.000 1.000 |
| At line 107 added 17 lines. |
| + ''UB matrix is not yet defined'' |
| + {{{> CALCUB A B |
| + UB 2.456 0.530 -0.200 |
| + -0.530 2.456 -0.090 |
| + 0.200 0.090 2.456 |
| + Peak QH QK QL A4 A3 SGL SGU QH QK QL |
| + A 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 2.03 0.00 0.00 |
| + B 0.00 4.00 4.00 99.45 20.39 4.25 -1.22 0.02 3.95 4.03 |
| + }}} |
| + ''the last 3 columns are the Q values calculated back from the angles'' |
| + {{{> MAKEUB |
| + > DR QH 2.03 0.00 0.00 |
| + > PR A4 A3 SGL SGU |
| + A4 = 65.311 |
| + A3 = -87.215 |
| + SGL = 1.258 |
| + SGU = -5.217 |
LIN