At line 9 added 6 lines. |
+ |
+ {{> addauxref ''qh qk ql''}} |
+ |
+ Define the vectors for the scattering plane. |
+ |
+ |
Lines 13-15 were replaced by line 19 |
- the current motor positions are used. If the given |
- qhkl triple already exists, its list entry is overwritten. |
- If not, a new entry is made. |
+ the current motor positions are used. |
At line 17 added 19 lines. |
+ {{> REF AUX ''qh qk ql''}} |
+ Add an auxiliary reflection to the list of reflections. A4 is calculated from the cell |
+ constants, the current ei and ef values are used. A3 is left alone or is calculated to |
+ have the right angular difference to the previous reflection. Using auxiliary reflections |
+ is a help during setup of the instrument or in powder mode. |
+ |
+ The sequence: |
+ {{{ |
+ ref clear all |
+ cell aa bb cc alpha beta gamma |
+ addauxref ax ay az |
+ addauxref bx by bz |
+ makeub 1 2 |
+ }}} |
+ with ax, ay, az being the first plane vector and bx, by, bz being the second plane vector |
+ creates a UB matrix which allows to drive Q positions and qm. But be aware that a3, sgu and sgl values |
+ are still invalid. |
+ |
+ |
At line 47 added 6 lines. |
+ {{>MAKEAUXUB qh qk ql}} |
+ |
+ Calculate a UB matrix from the first reflection and an auxiliary second reflection specified through the miller |
+ indices qh , qk, ql. The auxiliary reflection will have the same angles as the first reflection, except a3 and a4 will |
+ be adjusted to match the requirements from the crystalls geometry. |
+ |
Line 81 was replaced by line 110 |
- Find the peak 2 0 0 and optimize it |
+ > MAKEUBFROMCELL |
Line 83 was replaced by lines 112-116 |
- ... |
+ MAKEUBFROMCELL builds a UB matrix from the cell only. With this you can drive to 2 0 0 |
+ |
+ > drive qh 2 0 0 |
+ |
+ This will get you the correct two-theta == a4. You have to search the peak in a3, sgu and sgl and optimize it. |
At line 90 added 4 lines. |
+ > makeauxub 0 4 4 |
+ > dr qh 0 4 4 |
+ Make an axiliary UB and drive to the theoretical position for 0 4 4 |
+ |