HELENA


PLATON HOMEPAGE

WHAT IS HELENA?

HELENA is a program that is in use at UTRECHT UNIVERSITY for data reduction of CAD4 data.

CAD4-DATA are assumed to be in a file named: 'helena.cad' (including psi-scan data when applicable).

(An example CAD4-file, collected on a TurboCAD4/Rotating Anode for the CAD4 test crystal (= ammonium hydrogen tartrate) is included)

HELENA can be invoked in 'S' via clicking on the appropriate menu button

or directly via

platon -k

The normal input to the program on the '>>' prompt is (Depending on the local hardware setup, i.e. beta filter or monochromator):

followed by clicking on

CALC-SHELX

and (repeated) clicking on

NEXT-STEP

As a result, the program will generate a SHELX(L).HKL file (HKLF 4 - format) suitable for use with SHELX, SHELXS and SHELXL. (with direction cosines suitable for absorption correction with PLATON)

Psi-scan data follow regular reflections on shelx.hkl separated by a blank line (i.e. E.O.F. mark for SHELX(S/L)


Note:

  1. The applicable filterfactor should be provided in the last number in record #32 in the CAD4-file (after the two lambda's).

  2. There can be no garantie that it also works in other SET-UPs. The program is updated regularly.

  3. An analyses of 'shelxl.hkl' data for the applicable space group may be attempted with the program PLATON:

    what will be needed is a file 'shelx.ins' containing:

          TITLE text 
          CELL lambda a b c alf bet gam
          SPGR   (blank)
    

    Invoke: platon shelx.ins

    However this analysis is only tentative, the ultimate decision is to the user.


HELENA Instructions

  1. CALC-SHELX
  2. ScaleDegree
  3. LIST-REFL
  4. N0-SCALE
  5. BetaPerpPar
  6. LSR-MSM-MSA
  7. DirCos-ABSP
  8. Include RR1
  9. Include RR2
  10. Include RR3
  11. Include RR4
  12. Include RR5
  13. Include RR6
  14. Include RR7
  15. Include RR8
  16. Include RR9
  17. NEXT-STEP

19-Sep-2000 A.L.Spek