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Symbols - Numerics - A - B - C - D - E - F - G - H - I - J - K - L - M - N - O - P - R - S - T - U - V - W - X - Z

CHAPTER 22: Index

Symbols

# F2 Mapping Points 1
# J Mapping Points 1

Numerics

1D Analysis workwindow 1
1d_analysis program
effect of signal splitting 1
maximum number of points 1
nucleus observe frequency 1
overview 1
peak overlap criterion 1
peak picking 1
positive/negative signals 1
spectral width 1
spectrum identification text 1
start of spectrum 1
subtracting signals from data 1
supported data types 1
zero filling 1
3D_SPECTRUM
example application 1
for all 3D spectrum types 1
loading procpar file 1
optimization detection parameters 1
sensitive analysis 1
spectral simulation 1

A

ADEQUATE
acronym meaning 1
advantage of F1 DQ frequencies 1
comparison with HMBC 1
deriving carbon-carbon correlation 1
mapping parameters 1
optimization detection parameters 1
SQ or DQ frequencies in F1 1
ambiguous signal assignment 1
analysis speed
relation to phase functions 1
analyze program
causes for correlation rejection 1
correlation summary line 1
coupling constant mapping points 1
detection parameter optimization 1
estimated coupling constant 1
estimated variation of 1D frequencies 1
estimating coupling constants 1
example 3D analysis 1
excluding weak signals 1
function of 1
general features 1
mapping parameters 1
number of mapping points 1
output 1
output files 1
saving fitting volume plots 1
searching specific spectral regions 1
specifying spectrum type 1
anti-phase correlation
DQF-COSY 1
INADEQUATE 1
AssembleIt
specifying correlations 1
assembleit program
3-membered rings 1
4-membered rings 1
adding additional bonds 1
allowing correlation violations 1
ambiguity in heteronuclear data 1
AssembleIt component 1
correlation circle diagram 1
correlation not detected 1
deriving unobserved correlation 1, 2, 3
FindIt task 1
meaning atom color 1
meaning correlation line style 1
missing correlations 1
number free atom valences 1
proton and carbon shifts 1
proton bonded to heteroatom 1
purpose 1
reducing free valences 1
removing solvent resonances 1
specified false correlation 1
specifying fragment number 1
structures sorted by likelihood 1
structures violating constraints 1
supported spectrum types 1
unpaired sp2 carbons 1
VerifyIt component 1
ways to store structures 1
wrong input correlations 1
AssembleIt workwindow 1
automation
running report 1

B

brackets
meaning of 1
breaches of contract 1
Bruker
acquisition formats 1
AMX, DMX support 1, 2
analyzing spectrum files 1, 2
data formats 1
loading parameter files 1, 2, 3
XWIN-NMR 1
build-up curve
corr2plot script 1
mixing times 1
negative slope 1
spectral artifact 1

C

CCBond program 1
computer platforms
supported 1
conversion
See: shell script1
copyright
Cygwin Toolset 1, 2
Enscript 1, 2
Freely Distributable LIBM 1, 2
GL2PS library 1
GNU Ghostscript 1
Java runtime environment 1, 2
JavaHelp 1, 2
Mesa 1
NMRanalyst 1
Open Source software 1
Visualization Toolkit (VTK) 1, 2
Correction # FID Points 1
COUPLED_HSQC
mapping parameters 1
optimization detection parameters 1

D

data file 1
data flow 1
data format
analysis spectrum file 1
Bruker AMX & DMX 1, 2
Varian VNMR 1, 2, 3
datasets
dihydrotestosterone 1
gibberellic_acid 1, 2
oligomer_3D_SPECTRUM 1, 2
prednisone 1
strychnine 1
sucrose_INADEQUATE 1, 2
ubiquitin_HNCACB 1
ubiquitin_HNCO 1
detection step
function of 1
parameters 1, 2
digital filtering 1, 2
directories
searching for 1
directory editor
Directory Editor button 1
NMRDATA 1, 2, 3
NMRDIR 1
NMRSPEC 1, 2
NMRUSER 1, 2
setting summary 1
variable settings 1
disk space requirements
dihydrotestosterone 1, 2
FindIt structure database 1
gibberellic_acid 1
Linux NMRanalyst 1
oligomer_3D_SPECTRUM 1
strychnine 1
sucrose_INADEQUATE 1
ubiquitin_HNCACB 1
ubiquitin_HNCO 1
Windows NMRanalyst 1
distribution media 1
documentation
online 1
PDF manual 1
DQF-COSY
acronym meaning 1
coupling constant mapping range 1
deriving carbon-carbon correlation 1, 2
geminal coupling 1
long-range coupling 1
mapping parameters 1, 2
optimization detection parameters 1
schematic 1
spectral diagonal 1
vicinal coupling 1
DVD
contents 1

E

emulator
Virtual PC 1
error
ambiguous signal assignment 1
can't open display 1
incorrect display permission 1
multiple NMRanalyst running 1
NMRanalyst program not found 1
phase mismatch 1, 2, 3
signal area overlap 1
start errors 1
too many signals found 1
X Window server not running 1
Estimated Coupling Constant 1
Exit button 1

F

fast fourier transform
point number specification 1
fft program
3D transform order 1
coef file for 3D transform 1
maximum number of points 1
output file 1
purpose of 1
transform coefficients 1
FFT workwindow 1
FID
weighting functions 1
file usage 1
file-selection 1
Filter 1, 2
find files 1
FindIt 1
adding structures to database 1
fitting area
NMRanalyst analysis 1
FRED
Varian's former marketing name 1

G

goodness-of-fit criterion
multiple minima 1
Graphic workwindow 1
See also: plotting and graphics1

H

hard disk
installation directory size 1
paging/swapping space 1
help
full text search 1
index 1
NMRanalyst online help 1
online manual directory 1
PDF NMRanalyst Manual 1
table of contents 1
HETCOR
acronym meaning 1
mapping parameters 1
optimization detection parameters 1
heteronuclear spectrum
mapping parameters 1
history mechanism 1, 2, 3
HMBC
acronym meaning 1
deriving carbon-carbon correlation 1
mapping parameters 1, 2
optimization detection parameters 1
HNCO
oligomer analysis 1
HSQC
acronym meaning 1
distinguishing methyl, methylene, methine 1
mapping parameters 1
multiplicity editing 1
optimization detection parameters 1
hypercomplex data
definition 1

I

Identification Text 1
INADEQUATE
acronym meaning 1
anti-phase doublet 1
comparison with other spectrum types 1
coupling constant determination 1
coupling constant mapping range 1
deriving carbon-carbon correlation 1
DQF axis 1
estimating coupling constants 1
fitting area 1
isotope shifts in 1, 2
mapping parameters 1
optimization detection parameters 1
prednisone sample dataset 1
sucrose sample dataset 1
input screen 1, 2, 3
Input Screen button 1
installation
default locations on Linux 1
default locations on Windows 1
from CD-ROM 1
preparation on Linux 1
integral precision definition 1
Integral Precision Threshold 1

J

Java
copyright runtime environment 1
JavaHelp online help 1
provided runtime environment 1

K

key name
AAFrames 1
Add2PF 1
addBonds 1
ARunReport 1
BaseN 1
Bnd1 1
Bnd8 1
BndF1A 1
BndF1F 1
BndF2A 1
BondNo 1
BuildUp 1
Coefs2D 1
CorrPlot 1
DatFmt 1, 2
DiagPF 1
F1Pse0 1, 2
F1Pse1 1, 2
F1Pse2 1
F2Pse0 1
F2Pse1 1
F3Pse0 1, 2
F3Pse1 1, 2
F3Pse2 1
Fn1DF1 1
Fn1DF3 1
Fn1DSpcF1 1
Fn1DSpcF2 1
Fn2D 1
FnADEQ 1
FnArea 1
FnBond 1
FnBuild 1
FnCarbon 1
FnCoef 1
FnCorr 1
FnCOSY 1
FnCube 1
FnDEPT 1
FnFID 1
FnFID1 1
FnFind 1
FnHMBC 1
FnHSQC 1
FnINAD 1
FnInt 1
FnIP 1
FnLocation 1
FnNHMBC 1
FnNitrogen 1
FnNOE1 1
FnNOE5 1
FnOut 1
FnParm 1
FnPlot 1, 2
FnProton 1
FnPse 1
FnResF1 1
FnShifts 1
FnSim 1
FnSklt 1
FnSpcA 1
FnSpec 1
FnSubtract 1
FnVerify 1
FqFrom 1
FqFromU 1
FqTo 1
FqToU 1
HLimit 1
HzPpmF1 1, 2
HzPpmF1U 1, 2
HzPpmF3 1
HzPpmF3U 1
IntLimit 1
L3CorrBond 1
LAlias 1
LAmbig 1
LAmbiguities 1
LAssembleIt 1
LBondsCH 1
LFindIt 1
LFindItPos 1
LFindItPosMF 1
LFit 1
LFreq1 1
LFreq100 1
LHeteroH 1
LHideLegend 1
LI1 1
LI100 1
LI100L 1
LI1L 1
LOvrlp 1
LPseMm 1
LShiftRules 1
LSimp1 1
LVerifyIt 1
Map1 1
Map8 1
MapF1 1
MapF1A 1
MapF1F 1
MapF2A 1
MapF3 1
MapJ 1
maxV 1
maxWeight 1
mFormula 1
minV 1
minWeight 1
MixT1 1
MixT5 1
mSigHz 1
mSigHzU 1
MulMin 1
npF1 1
npF3 1
nPts 1
nSteps 1
numFrag 1
numMatch 1
numStruct 1
OrderFT 1
phase 1
PInt 1, 2
plotType 1
Pse1 1
Pse100 1
PseSht 1
pTitle 1
RangeF1 1
RangeF1U 1
RangeF3 1
RangeF3U 1
RangeJ 1
RangeJU 1
RBond 1
Relax1 1
Relax100 1
Ridge 1
ring3 1
ring4 1
RNBond 1
SetT2 1
SigDist 1
SigDistU 1
size 1
spF1 1, 2
spF1U 1, 2
spF3 1
spF3U 1
swF1 1, 2
swF1U 1, 2
swF3 1
swF3U 1
Task1 1
ThHMBC 1
ThNHMBC 1
tSize 1
TxSpec 1, 2
unit 1
unpairedSp2 1
UsrJcc 1
UsrJccU 1
vio4Bond 1
vioLongRange 1
WidthL 1
WidthLU 1
xScale 1
xTitle 1
yScale 1
yTitle 1
zScale 1
zTitle 1
keyboard
commands 1, 2

L

line list
generic generation 1
linear prediction 1
Linux
supported computer platforms 1
virtual memory requirements 1
Linux NMRanalyst
installation 1
un-installation 1
log files 1, 2

M

Mac Os
Virtual PC 1
Make Default menu item 1
manual
appendix 1
reference manual 1
user manual 1
Map Coupling Constant 1
Map F2 Frequencies 1
Mapping Parameters 1
Min Cluster Distance 1
Min Integral Precision 1
Min Signal Distance 1

N

nD Analysis workwindow 1
NMRanalyst
analysis steps 1
AssembleIt 1
avoiding overlap errors 1
background computations 1
changing spectrum type 1
changing UNIX file permissions 1
copy and paste 1
correlation areas searched (formula) 1
customizing windows 1
directory editor function 1
disk space requirements 1
distribution 1
distribution tape contents 1
excluding weak signals 1
file locking by backgrounded process 1
filebox description 1
filebox use 1
input fields 1
installation directory 1
installation instructions 1
manually terminating computations 1
new name for FRED 1
NOE build-up curves 1
phase functions for signal validation 1
print popup 1
private use 1
purpose of software 1
raw analysis output 1
setting DISPLAY variable 1
single-user installation 1
software support 1
super-peak-picker 1
supported computer platforms 1
supported spectrum types 1
system-wide installation 1
termination of session 1
use in other programs 1, 2
nmrgraph program
3D fitting volume 1
adding items 1
as molecular correlation editor 1
Atom Property Editor 1
Bond Property Editor 1, 2
carbon skeleton display 1
ChemDraw eXchange output 1
display of correlations 1
keyboard key functions 1
MDL Molfile output 1
MDL SDfile output 1
meaning atom color 1
meaning atom label 1
meaning bond line style 1
molecular display 1
mouse functions 1
moving items 1
number free atom valences 1
output summary 1
PostScript output 1
undo/redo changes 1
use of 1
workwindow features 1
nmrplot program
axis units 1
color problems 1
contour line colors 1
exit 1
implementation anti-aliasing 1
interactive features 1
mouse interactions 1
no resolution limits 1
PC mouse operations 1
plot panning 1
plot rotation 1
plot spinning 1
plot zooming 1
plotting 2D & 3D spectra 1
projection 3D spectrum on 2D plane 1
pull-down menus 1
rubber-band zooming 1
slice display of 3D spectrum 1
spectral phasing 1
NOESY
acronym meaning 1
optimization detection parameters 1
Number of Points 1

O

Observe Frequency 1, 2, 3
oligomer
AGAGAAAG sequence 1
demo dataset 1
HNCO spectrum 1
output
flow chart 1
output screen 1, 2
Output Screen button 1

P

paging/swapping space
increasing on Linux 1
purpose 1
Pause menu item 1
peak picking
comparison to NMRanalyst 1
threshold 1
phase function
2D phase function plot 1
correcting spectral data 1
phase-sensitive spectrum
distinction from absolute value 1
plotting and graphics
1D spectral plots 1, 2
3D fitting volume plot 1
accuracy of plots 1
anti-aliasing 1
available graphics summary 1
displaying overlapped lines 1
expansion for more detail 1
general input parameters 1
increasing plot resolution 1
integral distribution 1
NOE build-up curve 1
overlay plots 1
phase correction 1
phase, baseline, error values 1
plot title 1
plotting phase functions 1
time requirements 1
prednisone
demo dataset 1
preference
non-default background color 1
printing
bj10e format 1
bj200 format 1
bjc600 format 1
bjc800 format 1
cdeskjet format 1
cdj550 format 1
cdjcolor format 1
cdjmono format 1
deskjet format 1
determining Linux printer names 1
determining Windows printer names 1
djet500 format 1
epson format 1
epsonc format 1
formatting with ghostscript 1
gs program 1
increasing plot resolution 1
laserjet format 1
lbp8 format 1
ljet3 format 1
ljet4 format 1
ljetplus format 1
locally attached printer 1
network printer 1
pjxl300 format 1
PostScript format 1, 2
Print Manager 1
r4081 format 1
resolving problems 1
setting default printer 1
stcolor format 1
text file 1, 2
uniprint format 1
private software installation 1
probe
nano-probe 1
procpar file 1

R

reference manual
chapters 1
report program
ambiguities 1
analysis summary 1
build-up curve generation 1
correlation output description 1
correlation table 1
fft data 1
general features 1
molecular connectivity table 1
molecular structure plots 1
non-correlation features 1
output summary 1
overlapping signals 1
parameters 1
phase mismatch 1
plotting phase functions 1
precision distribution 1
prednisone output 1
redetermining 1D resonances 1
removing ambiguous signals 1
selecting reported information 1, 2
specifying 2D input 1
statistical information 1
use of 1
workwindow 1
Report workwindow 1
Resume menu item 1
ROESY
acronym meaning 1
detection parameter optimization 1

S

Samba software 1
shell script
bruker2txt 1, 2, 3
for format conversions 1
log2txt 1
plot2txt 1
protein2log 1
varian2txt 1
shell variable
DISPLAY 1
LPDEST 1
NMRDATA 1, 2
NMRDIR 1
NMRSPEC 1, 2
NMRUSER 1
PATH 1
PRINTER 1
Sign of Phased Signals 1
single-user installation 1
software
de-installation 1
installation 1
support 1
version 1
space requirements
disk 1
Spectral Width 1
Start button 1
Start of Spectrum 1
Stop button 1
sucrose
data acquisition 1
demo dataset 1
super user
becoming 1
supported computer platforms 1
system-wide installation 1

T

TOCSY
acronym meaning 1
optimization detection parameters 1
trademark
Adobe Acrobat 1
AssembleIt 1
ChemDraw 1
ChemOffice 1
CryoProbe 1
InChI 1
Intel 1
Java 1
JavaHelp 1
Linux 1
MDL 1
Microsoft Windows 2000 1
Microsoft Windows Vista 1
Microsoft Windows XP 1
NMRanalyst 1
NMRgraph 1
NMRplot 1
OpenGL 1
Pentium 1
PostScript 1
Red Hat 1
Sun 1
UNITY 1
UNITYplus 1
UNIX 1
VNMR 1
VXR 1
XWIN-NMR 1
Tutorial I
copying sample data 1
txt files 1, 2

U

UNC
PC uniform naming convention 1
UNIX
changing file permissions 1
directory format 1
find command 1
ftp command 1
shell on Windows 1
su command 1
swap command 1
swapon command 1
UNIX Shell button 1
user manual
content 1

V

VerifyIt 1
VNMR
color cell usage 1

W

weighting function 1
Windows 1
problem displaying foreground window 1
supported computer platforms 1
TweakUI application 1
Windows NMRanalyst
accessing UNIX files 1
changing drive letter 1
characters in directory & file names 1, 2
copy and paste 1
design goal 1
device characters 1
installation 1
Notepad use 1
NTFS access permissions 1
printing on UNIX printers 1
problem displaying foreground window 1
process killed on logout 1
Samba software 1
specific characteristics 1
specifying drive letter 1
TweakUI application 1
UNC path names 1
un-installation 1
vi editor 1
Windows 2000 1
Windows Vista 1
Windows XP 1
WordPad use 1
workwindow
backgrounding computations 1
check symbol use 1
clock icon 1
editing using emacs commands 1
graphic workwindow features 1
history window use 1
input screen 1, 2, 3
input screen defaults 1
loading input values 1
nmrgraph features 1
numerical input 1
numerical unit selection 1
output log file 1
output screen 1
setting priority value 1
text editing 1

X

X Window
allowing display of windows 1
capturing screen image 1
color problems 1
setting DISPLAY variable 1
starting server 1
xhost command 1
xinit command 1
xwd command 1
xwud command 1

Z

zero filling 1
zoom 1


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