3.55. REGWT: Analyse weights
| normal [a] | normal weighting scheme |
| regina [a] | Regina weighting scheme |
| maxhkl | set limits on h, k, l and s |
| archiv | addition and deletion of items in logical record lrrefl: |
| fgrid2 | specification for Frel division of the analysis map |
| sgrid [b] | specification for s division of the analysis map |
| Notes: a. Indicates only one control line with this symbol may be used. b. The fgrid and sgrid lines are mandatory for weight analysis. They must be the last two control lines and the fgrid line must precede the sgrid line. | |
| REGWT | Option | Code | Arg | Def | |
| reflection listing | nol | do not list all reflections | |||
| lst | n | list every n th reflection | 1 | ||
| reflection type | rel | use rcode=1 reflns only | |||
| inl | use rcode=1, 2 reflections | ||||
| dataset selection | dse | n | use hkl dataset n | 1 | |
| contribution factor | cnt | q | exclude hkl if  F > q | ||
| analysis based on | frl | relative |F| | |||
| fr2 | relative F2 | ||||
| irl | relative intensity | ||||
| type of run mode | reg | Regina weighting scheme | |||
| nor | normal weighting scheme | ||||
| wta | m | weight analysis [a] | 3 | ||
| scale factor for grid map | wfc | k | 1 | ||
| dispersion correction | nod | no dispersion correction | |||
| dis | dispersion correction | ||||
| scale factor for R-map | rsc | k | 100 | ||
| Notes: a. m=1, 2, 3, 4, 5 or 6 for analysis of the weighting schemes: unit weight, 1/  2, LSWT, LSW1, LSW2 or LSW3. | |||||
| normal [a] | 1 | weighting scheme number ( 0 to 9 ) | |
| 2 | mnemonic name of coefficients ( a to I ) | ||
| 3 | coefficient of the normal weighting function | 0 | |
| 4-5 | same as 2 and 3 | ||
| Notes: a. Be careful. Some values of the coefficients cannot be zero during the weight estimation. Read the REGWT section in the Reference Manual first. | |||
| regina | Option | Code | Arg | Def | |
| analysis map mode | indi | individual reflection mode | |||
| grid | grid point mode | ||||
| power of the weight [a] | pow | n | 2 | ||
| freedom factor of weight | fac | m | 1 | ||
| var.-covariance correction | avc | apply | |||
| noavc | do no apply | ||||
| grid weight | ngw | do not apply | |||
| apw | apply | ||||
| Notes: a. The highest power term in the weight function must be >= 0 and < 3. | |||||
| maxhkl | 1-3 | max |h|, |k|, |l|used in the weighting process | from bdf |
| 4-5 | min and max values of sin  / | from bdf |
| archiv | 1- | ID numbers [a] of bdf items to be added/deleted from logical record lrrefl: | |
| Notes: a. The only items which can be added or deleted are LSW1(n901), LSW2(n902) and LSW3(n903), where n is the data set number. archiv here is different from the one used in other programs. The previous weights located at LSWT, for instance, will be saved at location LSW1 if n901 is present in the archiv line. When -n901 is specified, the weight at LSW1 will be deleted from logical record lrrefl: in the bdf. In both cases the old weight at LSWT(n900) will be replaced by the newly calculated weight. | |||