ScienceSoft, LLC www.ScienceSoft.net

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

CD-ROM

using remote drive 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

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

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

mounting CD-ROM 1

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

ScienceSoft, LLC www.ScienceSoft.net