Abbreviations in CIF Data Names

The data names in the current core and powder dictionaries incorporate a number of abbreviated terms, listed below. It is suggested that other dictionaries should not proliferate these, but should stay with the same abbreviation for the same word. For example, difference, diffraction and diffractometer each have different abbreviations so future dictionary authors should stick with these. There are several cases (marked) where different abbreviations are used for the same word; in time COMCIFS should standardise on one as the preferred form for future use. There are no cases where the same abbreviation is used for different words.

ABBREVIATIONS USED IN CIF NAMES
CoreCIF 2.0, pdCIF 1.0, mmCIF 1.0

abbrev abbreviation

abs absolute (configuration, not structure)

absorpt absorption

alt alternative

amp amplitude

AN accession number

anal analyser

aniso *anisotropic

anisotrop *anisotropic

anom anomalous

ASTM American Society for Testing of Metals

asym asymmetric

atten attenuation

au arbitrary units

auth author

av average

ax axial

B B form of atomic displacement parameter (adp)

backgd *background

beg begin

bg *background

biol biology

bkg *background

bond bonding

Bsol B form of adp for solvent

calc calculated

calib calibration (pd)

cartn cartesian

CAS Chemical Abstract Service

char characterisation (pd)

chem chemical

chir chirality

clust cluster

coef coefficient

com common

comp component

conc concentration

conf conformation

config configuration

conform conformant

conn connectivity

cons constant

CSD Cambridge Structural Database

db database

defn definition

detc detector

der derivative

dev standard deviation

dict dictionary

dif *difference

diff *difference

diffr diffractometer

diffrn diffraction

displace displacement

dist distance

divg divergence

dom domain

dtime dead time

ens ensemble

eq *equatorial

equat *equatorial

equiv equivalent

eqn equation

esd standard uncertainty (estimated standard deviation)

See su

expt experiment

exptl experimental

fom figure of merit

fract fractional

Fsqd F squared

gen generation

gen generator

gen genetic

geom geometric

H-M Hermann-Mauguin

ha heavy atom

hbond hydrogen bond

hist history

horiz horizontal

I intensity

ICSD Inorganic Crystal Structure Database

id identifier

illum illumination

imag imaginary

inc increment

incl include

info information

instr instrument

Int international

ISBN International Standard Book Number

iso isotropic

iso isomorphous

ISSN International Standard Serial Number

IUCr International Union of Crystallography

IUPAC International Union of Pure and Applied Chemistry

len length

lim limit

loc lack of closure

ls least squares

max maximum

MDF Metals Data File

meanI mean intensity

meas measured

mid middle (between max and min)

min minimum

mod modification

mods modifications

mon monomer

monochr *monochromator (pd)

mono *monochromator (pd)

nat natural

NBS National Bureau of Standards

(now National Institute of Science and Technology)

NCA number of connected atoms

ncs non-crystalline symmetry

netI net intensity

NH number of connected hydrogen atoms

nha non-hydrogen atoms

norm normal

nst non-standard

nucl nucleic acid

num number

obs observed

oper operation

org organism

orient orientation

origx orthogonal coordinate matrix (PDB files)

os operating system

param parameter

pd powder diffraction

PDB Protein Data Bank

PDF Powder Diffraction File

perp perpendicular

phos phosphate

pk peak

polarisn polarisation

poly polymer

pos position

prep preparation

proc processed

prof profile

prot protein

ptnr partner

publ publication

R agreement index

rad radius

recd received

recip reciprocal

ref reference

refine refinement

refln reflection

reflns reflections

res resolution

restr restraints

rev revision

Rmerge agreement index of merging

rms root mean square

rot rotation

S goodness of fit

samp sample

scat scattering factor

seq sequence

sigI *sigma(I)

sigmaI *sigma(I)

sint sin theta

sint/lambda *sin(theta)/lambda

sol solvent

spec specimen

src source

std standard

stol *sin(theta)/lambda

struct structure

su standard uncertainty

suppl supplementary

sys systematic

tbar mean path length

temp temperature

tor torsion angle

tran *transformation

transf *transformation

transform *transformation

tvect translation vector (PDB files)

vert vertical

wR weighted agreement index

wt weight

* terms with multiple definitions

terms for which abbreviations are defined are sometimes found unabbreviated

**ABBREVIATIONS USED IN CIF NAMES**
CoreCIF 2.0, pdCIF 1.0, mmCIF 1.0
abbrev	abbreviation
abs	absolute (configuration, not structure)
absorpt	absorption
alt	alternative
amp	amplitude
AN	accession number
anal	analyser
aniso	*anisotropic
anisotrop	*anisotropic
anom	anomalous
ASTM	American Society for Testing of Metals
asym	asymmetric
atten	attenuation
au	arbitrary units
auth	author
av	average
ax	axial
B	B form of atomic displacement parameter (adp)
backgd	*background
beg	begin
bg	*background
biol	biology
bkg	*background
bond	bonding
Bsol	B form of adp for solvent
calc	calculated
calib	calibration (pd)
cartn	cartesian
CAS	Chemical Abstract Service
char	characterisation (pd)
chem	chemical
chir	chirality
clust	cluster
coef	coefficient
com	common
comp	component
conc	concentration
conf	conformation
config	configuration
conform	conformant
conn	connectivity
cons	constant
CSD	Cambridge Structural Database
db	database
defn	definition
detc	detector
der	derivative
dev	standard deviation
dict	dictionary
dif	*difference
diff	*difference
diffr	diffractometer
diffrn	diffraction
displace	displacement
dist	distance
divg	divergence
dom	domain
dtime	dead time
ens	ensemble
eq	*equatorial
equat	*equatorial
equiv	equivalent
eqn	equation
esd	standard uncertainty (estimated standard deviation)
	See su
expt	experiment
exptl	experimental
fom	figure of merit
fract	fractional
Fsqd	F squared
gen	generation
gen	generator
gen	genetic
geom	geometric
H-M	Hermann-Mauguin
ha	heavy atom
hbond	hydrogen bond
hist	history
horiz	horizontal
I	intensity
ICSD	Inorganic Crystal Structure Database
id	identifier
illum	illumination
imag	imaginary
inc	increment
incl	include
info	information
instr	instrument
Int	international
ISBN	International Standard Book Number
iso	isotropic
iso	isomorphous
ISSN	International Standard Serial Number
IUCr	International Union of Crystallography
IUPAC	International Union of Pure and Applied Chemistry
len	length
lim	limit
loc	lack of closure
ls	least squares
max	maximum
MDF	Metals Data File
meanI	mean intensity
meas	measured
mid	middle (between max and min)
min	minimum
mod	modification
mods	modifications
mon	monomer
monochr	*monochromator (pd)
mono	*monochromator (pd)
nat	natural
NBS	National Bureau of Standards
	(now National Institute of Science and Technology)
NCA	number of connected atoms
ncs	non-crystalline symmetry
netI	net intensity
NH	number of connected hydrogen atoms
nha	non-hydrogen atoms
norm	normal
nst	non-standard
nucl	nucleic acid
num	number
obs	observed
oper	operation
org	organism
orient	orientation
origx	orthogonal coordinate matrix (PDB files)
os	operating system
param	parameter
pd	powder diffraction
PDB	Protein Data Bank
PDF	Powder Diffraction File
perp	perpendicular
phos	phosphate
pk	peak
polarisn	polarisation
poly	polymer
pos	position
prep	preparation
proc	processed
prof	profile
prot	protein
ptnr	partner
publ	publication
R	agreement index
rad	radius
recd	received
recip	reciprocal
ref	reference
refine	refinement
refln	reflection
reflns	reflections
res	resolution
restr	restraints
rev	revision
Rmerge	agreement index of merging
rms	root mean square
rot	rotation
S	goodness of fit
samp	sample
scat	scattering factor
seq	sequence
sigI	*sigma(I)
sigmaI	*sigma(I)
sint	sin theta
sint/lambda	*sin(theta)/lambda
sol	solvent
spec	specimen
src	source
std	standard
stol	*sin(theta)/lambda
struct	structure
su	standard uncertainty
suppl	supplementary
sys	systematic
tbar	mean path length
temp	temperature
tor	torsion angle
tran	*transformation
transf	*transformation
transform	*transformation
tvect	translation vector (PDB files)
vert	vertical
wR	weighted agreement index
wt	weight
* terms with multiple definitions
terms for which abbreviations are defined are sometimes found unabbreviated

I.D. Brown, Chair, COMCIFS
Updated 19 March 2005

IUCr Webmaster