FINDKB: Scale Two Reflection Datasets

limstl sinθ/λ limits

limd Bragg spacing limits

limf magnitude limits

sandr use method of Singh and Ramaseshan (1966)

Note: A more extensive listing may be obtained if psta is set to 4 via the reset line.

FINDKB 1 data set 1 name or bdf ID-number parent or 1

2 data set 2 name or bdf ID-number

3 signal for output bdf no bdf

bdf output bdf with the new k and ΔB included

4 signal scale type scale on F

squared scale on

limstl 1-2 min and max sinθ/λ

limd 1-2 min and max Bragg spacing

limf 1-2 min and max

3 scale K

Output only reflections where min. <= <= max. For Bijvoet difference functions, a reflection is rejected if either (+) or(-) lies outside the specified range. Output only reflections where >= K.

sandr 1 scale factor k for data set 1 1

2 scale ΔB value for data set 1 0

3 scale factor k for data set 2 from bdf

4 scale ΔB value for data set 2 from bdf

5 number of s groups of used 6

6 treatment of centric data treat centric data separately

notest treat all data identically

7 calculate 'linear' statistics no

stat calculate linear statistics

8 anomalous scatterers in dataset 2 yes

noanom no anomalous scatterers

9-10 min and max sinθ/λ from bdf

11 cycles of refinement 3