Volume 2 Chapter 7 Numeric Sub-menu *RFACTOR

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*SIGFLAG

Function

*SIGFLAG is used to test for entries having a specified range of values of the average esd of C-C bond lengths.

CSD Contents

The average esd of C-C bond lengths in a structure is given a flag value corresponding to the range of values into which it falls. These flags can be searched using tests or screens.

The complete set of flag values is :

average sigma(C-C) not recorded   0
in range 0.001-0.005Å             1
in range 0.006-0.010Å             2
in range 0.011-0.030Å             3
greater than 0.030Å               4

Graphics QUEST3D Procedure

Select *SIGFLAG from the NUMERIC sub-menu and respond to the standard numeric prompts.

Basic QUEST Procedure

Ex.

T1 *SIGF  1-2

This test registers hits for all entries having average sigma(C-C) in the range 0.001-0.010Å.

Related Bit Screens

The corresponding database bit screens are:

average sigma(C-C) not recorded   73
in range 0.001-0.005Å             74
in range 0.006-0.010Å             75
in range 0.011-0.030Å             76
greater than 0.030Å               77

Ex.

SCRE 74

This query screen registers hits for all entries having average sigma(C-C) in the range 0.001-0.005Å.

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Volume 2 Chapter 7 Numeric Sub-menu *SPGNUMBER.