At line 2 added 1 line. |
+ |
Line 9 was replaced by lines 10-13 |
- {{> REF ''qh qk ql a4 a3 sgl sgu ki kf''}} |
+ |
+ {{> addauxref ''qh qk ql''}} |
+ |
+ Define the vectors for the scattering plane. |
At line 10 added 3 lines. |
+ |
+ {{> REF ''qh qk ql a3 a4 sgl sgu Ei Ef''}} |
+ |
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- 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 16 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. |
+ |
+ |
Line 42 was replaced by lines 66-69 |
- {{> MAKEUB ''peak1 peak2'' CHEAT}} |
+ {{>MAKEUBFROMCELL}} |
+ |
+ Calculate and activate a UB which has been calculated from the cell constants alone. |
+ This is useful to get a4 when no reflection has yet been found to calculate a proper UB. |
Lines 44-45 were replaced by line 71 |
- The same as above, but the cell constants a, b and c are scaled in |
- order to make ''peak1'' perfectly fitting. |
+ {{>MAKEAUXUB qh qk ql}} |
At line 46 added 8 lines. |
+ 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. |
+ |
+ [Markus Zolliker]: ''there should be a an easy way helping |
+ the user to correct the cell constants (for example due to |
+ thermal contraction) according to the measured peak. '' |
+ |
At line 50 added 17 lines. |
+ !Out Of Plane Operation |
+ |
+ This formalism allows to drive out of the scattering plane using the tilt motors of the sample stage. Some cryostats cannot stand this. |
+ Therefore driving out of plane can be switched off and on. |
+ |
+ {{> TASUB OUTOFPLANE 1}} |
+ |
+ This command switches out of plane operation __on__. |
+ |
+ {{> TASUB OUTOFPLANE 0}} |
+ |
+ This command switches out of plane operation __off__. |
+ |
+ {{> TASUB OUTOFPLANE}} |
+ |
+ lists the current value of the outofplane variable |
+ |
Line 59 was replaced by line 110 |
- Find the peak 2 0 0 and optimize it |
+ > MAKEUBFROMCELL |
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- ... |
+ MAKEUBFROMCELL builds a UB matrix from the cell only. With this you can drive to 2 0 0 |
+ |
+ > drive qh 2 0 0 |
At line 62 added 2 lines. |
+ This will get you the correct two-theta == a4. You have to search the peak in a3, sgu and sgl and optimize it. |
+ |
Line 67 was replaced by lines 122-126 |
- A 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 |
+ 1 2.00 0.00 0.00 65.31 -87.21 1.25 -5.22 |
+ |
+ > makeauxub 0 4 4 |
+ > dr qh 0 4 4 |
+ Make an axiliary UB and drive to the theoretical position for 0 4 4 |