| Line 29 was replaced by line 29 |
| - {{> CALCUB ''peak1 peak2''}} |
| + {{> MAKE ''peak1 peak2''}} |
| Line 31 was replaced by line 31 |
| - Calculate and print out the UB matrix, as well as the |
| + Calculate, activate and print out the UB matrix, as well as the |
| Line 42 was replaced by line 42 |
| - {{> CALCUB ''peak1 peak2'' CHEAT}} |
| + {{> MAKEUB ''peak1 peak2'' CHEAT}} |
| Removed lines 47-59 |
| - {{> CALCUB}} |
| - |
| - Just list again the UB matrix and the full peak list. |
| - |
| - {{> MAKEUB ''peak1 peak2 ...''}} |
| - |
| - Calculate the UB matrix and make it active. The arguments are the same |
| - as in CALCUB. |
| - |
| - {{> MAKEUB}} |
| - |
| - Without arguments, the last UB matrix calculated by CALCUB is used. |
| - |
| Line 90 was replaced by line 77 |
| - B 0.00 4.00 4.00 65.31 -87.21 1.25 -5.22 |
| + 1 0.00 4.00 4.00 65.31 -87.21 1.25 -5.22 |
| Lines 96-97 were replaced by lines 83-84 |
| - 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 |
| + 1 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 |
| + 2 0.00 4.00 4.00 99.45 20.39 4.25 -1.22 |
| Line 102 was replaced by line 89 |
| - > CALCUB A B |
| + > MAKEUB 1 2 |
| Lines 107-112 were replaced by lines 94-95 |
| - A 1 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 2.03 0.00 0.00 |
| - B 2 0.00 4.00 4.00 99.45 20.39 4.25 -1.22 0.02 3.95 4.03 |
| - |
| - the last 3 columns above show the Q values calculated back from the angles |
| - |
| - > MAKEUB |
| + 1 A 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 2.03 0.00 0.00 |
| + 2 B 0.00 4.00 4.00 99.45 20.39 4.25 -1.22 0.02 3.95 4.03 |
| Line 114 was replaced by lines 97-98 |
| - make the calculated UB matrix active. We drive now to the 2 0 0 peak |
| + the last 3 columns above show the Q values calculated back from the angles. |
| + We drive now to the 2 0 0 peak |
LIN