output | specify items to be listed |
format | specify formats of items to be listed |
pscale | print scales of items to be listed |
scale | structure factor scale |
maxhkl | specify max h, k, l and min/max sin ![]() ![]() |
LISTFC | Option | Code | Arg | Def | |
hkl indices listed | ind | n | indices listed (1 or 3) | 1 | |
hkl sort order [a] | ord | hkl | hkl chars in order slo/med/fast | bdf | |
list rcode flags | nfl | rcode flags will not be listed | |||
fla | f | four chars for rcodes 2345 | -*** | ||
output pch file | pun | punch data (80 chars max) | |||
npun | no punch output | ||||
output line width [b] | wid | w | chars per output line | local default | |
output lines/page [b] | lin | l | lines per page header | local default | |
dataset number | dse | n | 1 | ||
print void items | vbl | print void items as blank | no | ||
Notes: a. Only used if the SORTRF sort order code is not on the bdf. If data is unsorted, ind 3 is recommended because LISTFC does not sort reflection data! b. These parameters may be used to output one reflection per line for use with external software. To do this, set wid to the number of chars in one reflection and lin to a very large number. |
output [a] | 1-20 | items output (as codes or bdf ID numbers) | |
Notes: a. The item specification for field 1 MUST be either hkl or 1 . Alphabetic codes accepted are those defined for ADDREF bdfin (with the exception of all and Friedel reflection packets) and the addition of f2cl and ical for outputting calculated intensity I and F2cal and ffrel, fsigf, ff2rl and fsgf2 for Friedel data. Typical codes are frel , fcal , sigf , pcyc or pdeg . Each item must be specified in order of output. A maximum of 20 items may be entered. NOTE that if the output line is not entered hkl frel fcal and sigf will be listed. |