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Using Diffractometers in SPEC

Using Diffractometers in SPEC

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Using Diffractometers in SPEC

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  1. Using Diffractometersin SPEC

  2. Geometries • fourc, kappa • fivec, • sixc, psic • twoc, • w21v, w21h • s1d2, s2d2 • zaxis • ….

  3. Reminder • Diffractometer : working in crystal coordinates: HKL • H,K,L to motor positions: matrix UB • A particular geometry gives different modes of operation. • Motor names are fixed by the geometry • ( and always first in wa… magic! )

  4. A diffraction experiment • Enter lattice parameters: setlat • Defining orientation matrix: • setor0, setor1, or0, or1 • Deciding working mode • setmode, freeze • setsector • … and work: • wh, ca, ci,pa, hklscan,kscan...

  5. Operation Modes • Use modes to fix some conditions • freeze

  6. Orientation Matrix • or0, or1 ( setor0, setor1 ) • can be entered manually: enterUB • or by refinement: ( several reflexions ) • reflex_beg • reflex • reflex_end • You can print it

  7. Usage • pa ( show current settings ) • wh ( show h,k,l and motor positions ) • ca, ci ( calculates and show, no move ) • br ( go to brag… 1,0,1)

  8. Scans ( of course ) • hklscan and variants • hscan • kscan • lscan • Radial scans: ( follow a line ) • hkradial, hlradial, klradial • Circular scans: ( doing an arc ) • hkcircle, hlcircle, hkcircle

  9. More • Save • will put all parameters into a file • load it with ‘do filename’

  10. Internals • calcA • calculates A[] from HKL • calcHKL • calculates HKL from A[] • leaves values in H,K and L • Who said pseudo-motors?