spec

Software for Diffraction

4.10. - Four-Circle Functions



You can access the four-circle calculations through spec's user-hook routine calc(). The table below summarizes the calculations available.
 Function   Alias   Description 

 calc(1)   calcA   Calculate motor positions for current H K L
 calc(2)   calcHKL   Calculate H K L for motor positions in A[]
 calc(4)   calcG   Recalculate orientation matrix. 
 calc(4,1)   USER_UB   Returns 0, 1 or 2 if UB is from reflections, entered direcly or a result of fitting. 
 calc(5)   calcZ   Calculate χ and φ for zone feature. 
 calc(7,0)   calcD   Calculate direct lattice from reciprocal parameters. 
 calc(7,1)   calcR   Calculate reciprocal lattice from direct parameters. 
 calc(8)   calcE   Calculate λ for current monochromator positions. 
 calc(9)   calcM   Calculate monochromator position for current λ. 
 calc(10)   _begUB   Initialize sums for fitting UB
 calc(11)   _addUB   Add a reflection to fitting sums. 
 calc(12)   _fitUB   Fit UB
 calc(13)   calcL   Calculate lattice parameters from UB