Lines 5-7 were replaced by lines 5-16 |
- set unit cell constants. If b or c are omitted, a is used, if angles |
- are omitted, they are set to 90 degress. Without arguments, the |
- cell constants are listed. |
+ set unit cell constants. If b or c are omitted, the same value as |
+ for a is used, if angles are omitted, they are set to 90 degress. |
+ Without arguments, the cell constants are listed. |
+ |
+ {{> REF ''qh qk ql a4 a3 sgl sgu''}} |
+ |
+ Make an entry in the list of peaks. For angles not given, |
+ 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, and the new peak name is |
+ returned. Peak names are single letters starting from A. |
+ It is therefore possible to save the information about up to 26 reflections. |
Line 9 was replaced by line 18 |
- {{> REF ''h k l a4 a3 sgl sgu''}} |
+ {{> REF ''peak qh qk ql a4 a3 sgl sgu''}} |
Lines 11-15 were replaced by lines 20-21 |
- enter ''h k l'' to the list of reflections. For angles not given, |
- the current motor positions are used. A new, unused reflection name is |
- given and show. If ''peak'' is specified, the named reflection is overwritten. |
- Reflection names are single letters starting from A. |
- It is possible to save the information about up to 26 reflections. |
+ The same as above, but a named entry is overwritten. If another |
+ entry with the same qhkl triple already exists, it is deleted. |
Removed lines 17-20 |
- {{> REF ''peak h k l a4 a3 sgl sgu''}} |
- |
- The same as above, but a named peak is overwritten. |
- |
Lines 31-32 were replaced by line 33 |
- Calculate and print out the UB matrix. |
- If two peaks are given, ''peak1'' is used |
+ Calculate and print out the UB matrix. ''peak1'' is used |
At line 37 added 4 lines. |
+ ''It has to be checked that this is fully compatible with the |
+ TASMAD specification. In principle, AX,AY,AZ should correspond |
+ to peak1 and BX,BY,BZ to peak2.'' |
+ |