This file will cross-index the function of the various programs with their locations within the XRD menus. Several of the programs on these menus are known by 'their name', 'their author', or 'their function'. 2-theta to d, Q, and sine squared theta 26.2 Add proprietary powder patterns to a user subfile 5.7.4 AIDS 24. Angles between planes 26.22 Angles between planes 37.6.1 Angles between zones and planes 37.6.2 Appleman (least squares) 3.2 ARGONNE (least squares) 19. Atomic models 36. Atomic percent 26.10 Atomic weights, volume, and density 6.9.3 Atomic weights, volume, and density 26.10 Atomic weights, volume, and density 44.7.3 Axial ratio 12.5.1.9 Bond distances and angles 4.2 Bond distances and angles 13.2 BROWN (least squares) 40. Build a user powder subfile 5.7.3 Calculate bond distances and angles 4.2 Calculate bond distances and angles 13.2 Calculate weight percent 6.9.3 Calculate x-ray diffraction patterns 4.3 Calculate x-ray diffraction patterns 32.2 Calculation of mass absorption for phases 26.11 CDIF (Crystal Data Identification File) 12.4 CDIF (create a list of access numbers) 26.30 CDIF 38.7 CDROM (Compact-Disk Read Only Memory) 5.4.3 CDROM 23.4.3 CDROM (create a list of access numbers) 26.30 CDROM 38.4 Cell reduction 2.7 Cell reduction 18.6 Cell reduction 22.6 Cell reduction 35.6 Cell reduction 37.8 CHEM (see results for EDD) 37.3 Chemical retrieval of JCPDS-ICDD entry 5.5 Chemical retrieval of JCPDS-ICDD entry 23.5 Chemical searches of Crystal Data 12.5.1.2 CLAYTON 25. CODENS 12.14 CODENS 12.15 CODENS 26.20 COHEN 20. COMBIN 4.4 Combine calculated patterns into mixture 4.4 Contamination line calculation 26.12 Conversion utilities 26. Conversion utilities 37.6.3 Conversion utilities 42. Conversion utilities 43. Convert a *.dup file to a *.adr file 42.13 Convert a *.pod file to a *.adr file 42.12 Convert ARCO Rigaku dmax-b *.apd files to *.asc 42.10 Convert ARCO Rigaku dmax-b *.rdi files to *.adr 42.11 Convert ARCO Scintag *.srd files to *.asc files 42.4 Convert Nicolet *.X2 VAX binary files to *.adr files 42.17 Convert Nicolet *.X1 VAX binary files to *.asc files 42.18 Convert Philips 3600 *.rd files to *.asc files 42.3 Convert Philips 3600 *.rd files to *.xda files 42.16 Convert Philips 3720 *.rd files to *.asc files 42.2 Convert real cell/reciprocal cell 26.25 Convert Rigaku Dmax-b *.rrd files to *.asc files 42.9 Convert Scintag *.frd (fastscan) files to *.asc files 42.5 Convert Scintag *.srd (stepscan) files to *.asc files 42.6 Convert Scintag *.srd (stepscan) files to *.xda files 42.15 Convert Scintag *.pks VAX binary files to *.adr files 42.19 Convert Scintag *.rd VAX binary files to *.asc files 42.20 Convert Siemens *.ras files to *.asc files 42.1 Create a standard (*.adr) d-i file 42.7 Create a standard (*.asc) raw data file 42.8 Create a user subfile 5.7.3 CRYSET 4.6 Crystal Data 12. Crystal Data help 12.6 Crystal Data help (HARLOW on presentation format) 12.6.2 Crystal Data help (JOHNSON on 'logic sets') 12.6.3 Crystal Data help (NBS--on contents of file) 12.6.1 Crystallite size 20. Crystallite size 20.6 Crystallite size 26.16 Crystallite size 31. D to 2-theta, Q, and sine squared theta 26.1 D-gen (Foris and Sleight) 3.5 D-gen (Foris and Sleight) 11.6 D-gen (Foris and Sleight) 19.5 D-gen (Foris and Sleight) 24.7 D-gen (Foris and Sleight) 30.5 D-gen (Foris and Sleight) 34.5 D-gen (Foris and Sleight) 40.5 D-gen (Smith) 2.4 D-gen (Smith) 3.4 D-gen (Smith) 11.5 D-gen (Smith) 18.5 D-gen (Smith) 19.4 D-gen (Smith) 22.5 D-gen (Smith) 24.6 D-gen (Smith) 30.4 D-gen (Smith) 34.4 D-gen (Smith) 37.7 D-gen (Smith) 40.4 DATA MASSAGE (COHEN) 20.2 Delta d vs d 26.5 DENSITY 6.9.3 DENSITY 12.5.1.7 DENSITY 26.10 Designate phases for QUANT (GUESS) 6.5 Designate phases for QUANT (GUESS) 44.4 Designate phases for QUANT (Graphics) 44.3 Designate phases for QUANT (Numerically) 44.2 Determination of unit cell/reciprocal unit cell 2.3 DICVOL (indexing) 18.2 Diffractometer errors 26.21 DINT12 4.2 Display JCPDS-ICDD entry 5.4 Display JCPDS-ICDD entry 23.4 Display JCPDS-ICDD entry 38. Display JCPDS-ICDD entry (CDROM) 5.4.3 Display JCPDS-ICDD entry (CDROM) 23.4.3 Display JCPDS-ICDD entry (CDROM) 38.4 Display JCPDS-ICDD entry (D-I's) 5.4.1 Display JCPDS-ICDD entry (D-I's) 23.4.1 Display JCPDS-ICDD entry (D-I's) 38.1 Display JCPDS-ICDD entry (PDF-2) 5.4.2 Display JCPDS-ICDD entry (PDF-2) 23.4.2 Display JCPDS-ICDD entry (PDF-2) 38.3 DRILL12 13.3 DRILL12 36.1.1 DRILL12 36.1.2 DSPACE (search on residual spacing of an unknown) 23.6 EDD (Electron Diffraction Database) 37. EDD search 37.2 EDD utilities 37.6 Edit a subfile of JCPDS-ICDD file for user subfile 5.7.2 Electron diffraction data 37. Elements selection (LATTICE) 12.5.1.2 Elements selection (TOBY) 38.2 Elements selection (TOBY) 39.2 Enter a reference pattern to a full spectra database 6.2 Enter an unknown for quantification 6.4 Enter an unknown for quantification 44.1 ENTERR (enter reference patterns in GMQUANT) 6.2 ENTERU (enter unknown patterns in GMQUANT) 6.4 ENTERU (enter unknown patterns in MATCHDB) 44.1 Extinction codes and positions from space group 4.6 Extrapolation functions 26.14 Files used in the XRD system 8. Formula searches (Crystal Data) 5.2 Formula searches (Powder Data) 12.5 Fourier Analysis 20. Fourier Analysis 31. FSRCH (search for EDD) 37.2 Functional groups (LATTICE) 12.5.1.3 Functional groups (LATTICE) 12.5.1.4 Give space groups vs property 26.27 GMQUANT (quantification using full spectra) 6. GOBEL-WILSON (indexing) 7. GOEHNER/GARBAUSKAS 23. Graphical presentation of data 20.1 Graphical presentation of full spectra 1.3 Graphical presentation of full spectra 6.1 Graphical presentation of full spectra database 6.10.5 Graphical presentation of full spectra database 6.9.5 Graphical presentation of multiple *.asc files 42.14 Graphical presentation of polymer patterns 10.1 GSAS (Rietveld) 13.4 Help regarding the XRD system Main menu Help regarding the XRD system Main menu Hexagonal/Rhombohedral conversions 26.32 I (lp) vs theta 26.8 I (peak) vs I (integrated) 26.6 I (variable slit) vs I (fixed slit) 26.7 Indexing (GOBEL-WILSON) 7. Indexing (LOUER) 18. Indexing (NRC--interactive index) 26.29 Indexing (TAUPIN) 35. Indexing (Visser's ITO) 2. Indexing (WERNER) 22. Instrumental Broadening 20.3 ITO (indexing) 2.2 JOHNSON/VAND 5. Journal 12.14 Journal 12.15 Journal 26.20 Larson's extinction program 4.6 Larson's Rietveld 13.4 Lattice transformations 2.7.1 Lattice transformations 18.6.1 Lattice transformations 22.6.1 Lattice transformations 35.6.1 Lattice transformations 37.8.1 Lawton cell reduction 2.7.1 Lawton cell reduction 18.6.1 Lawton cell reduction 22.6.1 Lawton cell reduction 35.6.1 Lawton cell reduction 37.8.1 LAZY (powder pattern generation) 32.2 Least squares 3. Least squares (Appleman) 3.2 Least squares (ARGONNE) 19. Least squares (BROWN) 40.2 Least squares (LCLSQ) 30. Least squares (LSLSQ) 11. Least squares (PODEX) 34. LePage cell reduction 2.7.2 LePage cell reduction 18.6.2 LePage cell reduction 22.6.2 LePage cell reduction 35.6.2 LePage cell reduction 37.8.2 Line broadening 20.3 Line broadening 31. LOGIC FILES 12.5.2 LOGIC sets 12.5.1 LOGIC sets 12.6.3 Look up space groups (number to symbol) 26.24 Look up space groups (symbol to number) 26.26 LOUER 18. LSQ85 (least squares) 11. MAST (ARGONNE least squares) 19.2 MATCHDB 44. Metals and alloy file 5. Metals and alloy file 23. Metals and alloy file 38.2. Microstrain 20. Microstrain 31. Mineral names 5.7.7 Misc search schemes (Crystal data) 12.5 MODEL (calculates atomic bond angles and lengths) 13. Molecular graphics 36. Multiplicity factors 26.17 NAMOD (draws atomic structure) 36. NBS*AIDS83 24. NBS*LATTICE 12. NBS*LSQ85 11.2 NBS*SEARCH 12.2 Optical constants 26.19 ORTEP (Oak Ridge Thermal Ellipsoid Program) 33. Parallel listing of unknowns with JCPDS-ICDD patterns 23.8 PARTHE (powder pattern generation) 32.2 Particle settling rate 26.18 Particle size 20.6 Particle size 26.16 PDF-2 5.4.2 PDF-2 subfiles 26.30 PDLOOK (view entries from the EDD database) 37.4 PDLOOK (view entries from the EDD database) 38.5 Peak broadening 20. Peak broadening 31. Peak determination 1.2 Peak finding (Visser) 1.2 Peak finding (SHADOW) 41.2 Percent crystallinity 10.2 PIDAX 40.1 Piezoelectric or pyroelectric space groups 12.5.1.5 PIRUM 40. PIRUM least squares 40.2 Plot multiple *.asc files 42.14 PODEX least squares 34. Polar or nonpolar space groups 12.5.1.5 POLYMER 10. POWD12 (powder pattern generation) 4.3 POWDER (powder pattern generation) 4. POWDER SUITE (LOGIC) 38.2 POWDER SUITE (LOGIC) 39.2 PREP (set up files for Prince's Rietveld) 13.4.1 Prepare input for EDD 37.1 Prepare input for indexing 2.1 Prepare input for indexing 3.1 Prepare input for indexing 7.1 Prepare input for indexing 18.1 Prepare input for indexing 22.1 Prepare input for indexing 35.1 Prepare input for indexing (Johnson) 2.1.1 Prepare input for indexing (Johnson) 18.1.1 Prepare input for indexing (Johnson) 22.1.1 Prepare input for indexing (Johnson) 35.1.1 Prepare input for indexing (SUINDEX) 2.1.3 Prepare input for indexing (SUINDEX) 7.1 Prepare input for indexing (SUINDEX) 18.1.2 Prepare input for indexing (SUINDEX) 22.1.2 Prepare input for indexing (SUINDEX) 35.1.3 Prepare input for indexing and refinement 2.1.2 Prepare input for indexing and refinement 3.1.2 Prepare input for least squares (ARGONNE) 19.1 Prepare input for least squares (LCLSQ) 30.1 Prepare input for least squares (LSQ85) 11.1 Prepare input for least squares (PODEX) 34.1 Prepare input for NBS*SEARCH 12.1 Prepare input for NBS*SEARCH (HARLOW) 12.1.2 Prepare input for NBS*SEARCH (JOHNSON) 12.1.1 Prepare input for ORTEP 33.1 Prepare input for peak determination 1.1 Prepare input for peak finding 1.1 Prepare input for powder pattern generation 4.1 Prepare input for powder pattern generation 32.1 Prepare input for QUANT 6.5 Prepare input for QUANT 44.2 Prepare input for QUANT 44.3 Prepare input for QUANT 44.4 Prepare input for refinement (Appleman) 3.1.1 Prepare input for refinement (PIRUM) 40.1 Prepare input for search/match 5.1 Prepare input for search/match 23.1 Prepare input for search/match 25.1 Prepare input for the MODEL program 13.1 Profile fitting 41.2 Proprietary powder patterns 5.7.4 PULVERIX (powder pattern generation) 32.2 Pyroelectric space groups 12.5.1.5 Q to 2-theta, d, and sine squared theta 26.3 Quadratic forms 26.13 QUANT 6.6 QUANT 44.5 Quant 'batch' 6.10 Quant 'batch' "autoreply run" 6.10.7 Quant 'batch' analysis 6.10.4 Quant 'batch' ENTERU 6.10.2 Quant 'batch' input for QUANT 6.10.3 Quant database copy 6.9.2 Quant database creation 6.9.1 Quant database edit 6.9.4 Quant database utilities 6.9 Quant database utilities 44.7 REFCOM (set up files for Prince's Rietveld) 13.4.2 Reducted cell 2.7.1 Reducted cell 12.2 Reducted cell 18.6.1 Reducted cell 22.6.1 Reducted cell 35.6.1 Reducted cell 37.8.1 Reducted cell 2.7.2 Reducted cell 18.6.2 Reducted cell 22.6.2 Reducted cell 35.6.2 Reducted cell 37.8.2 Resequence a QUANT database 44.7.5 Resolution 26.9 Rhombohedral/Hexagonal conversions 26.32 Rietveld 13. Rietveld (Baerlocher's) 13.1 Rietveld (Cox and Toby) 13.2 Rietveld (Prince) 13.4 Rietveld (Wiles and Young) 13.3 Rietveld (Larson and Von Dreele) 13.4 RMS strain 20. RMS strain 31. ROOF 31. Run NRCVAX interactive powder refinement program 26.29 Run various vector space utilities 26.28 Scherrer equation 20.6 Scherrer equation 26.16 Search by axial ratio of Crystal Data cells 12.5.1.8 Search by cell edges of crytsal Data cells 12.5.1.9 Search by centro or non-centro space groups 12.5.1.5 Search by crystal system 12.5.1.1 Search by elements present or absent 12.5.1.2 Search by functional groups 12.5.1.3 Search by functional groups 12.5.1.4 Search by piezoelectric or pyroelectric space groups 12.5.1.5 Search by polar or nonpolar space groups 12.5.1.5 Search by space group 12.5.1.1 Search full spectra--graphically 44.3 Serach full spectra--numerically 44.2 Search JCPDS-ICDD patterns on residual lines 23.6 Search/match (GOEHNER/GARBAUSKAS) 23.2 Search/match (JOHNSON/VAND) 5.2 Select by centro or non-centro space groups 12.5.1.5 Select by crystal system 12.5.1.1 Select by elements present or absent 12.5.1.2 Select by functional groups 12.5.1.3 Select by functional groups 12.5.1.4 Select by piezoelectric or pyroelectric space groups 12.5.1.5 Select by polar or nonpolar space groups 12.5.1.5 Select by space group 12.5.1.1 Select by year of publication 12.5.1.13 Select JCPDS-ICDD entry based on chemistry 5.5 Select JCPDS-ICDD entry based on chemistry 23.5 Select JCPDS-ICDD patterns based on residual d-spacings23.6 Select JCPDS-ICDD patterns based on residual lines 23.6 Select subfile of JCPDS-ICDD file based on chemistry 5.7.1 SHADOW 41. SHELL utilities 37.6.3 Show the contents JCPDS-ICDD database or subfiles 5.7.5 Show the effects of resolution on peaks 26.23 SHOWDB (show the contents of a GMQUANT database) 6.10.5 SHOWDB 6.9.7 SIMUL (simulate at full profile pattern) 5.6 SIMUL 6.3 Simulation of a trace of a pattern 5.6 Simulation of a trace of a pattern 6.3 Sine (theta) / lambda 26.15 Sine squared theta to d, Q, and 2-theta 26.4 Size 20.6 Size 26.16 Sort a QUANT database 6.9.6 Sort a QUANT database 44.7.5 Space group number to space group symbol 26.24 Space group symbol to space group number 26.26 Space groups (number to symbol) 26.24 Space groups (symbol to number) 26.26 Space group search 12.5.1.1 SPINNLER utilities 37.6.3 Stick figures 36. Stokes correction 20.3 Stress/Strain 20. Stress/Strain 31. Subfiles (JOHNSON/VAND) 5. Subfiles (LATTICE) 12.5.1.12 Subfiles (TOBY) 38.2 Subfiles (TOBY) 39.2 SUINDEX (set up for indexing) 2.1.3 SUINDEX (set up for indexing) 18.1.2 SUINDEX (set up for indexing) 22.1.2 SUINDEX (set up for indexing) 35.1.3 SUORTEP 33.1 TABLE.TMP 12.5.1 TABLE.TMP 12.5.5 TAUPF4 (indexing) 35.2 TAUPIN (indexing) 35. TOBY (LOGIC) 38.2 TOBY (LOGIC) 39.2 TOBY (POWDER SUITE) 38. Transfer of data 42. Transfer of data 43. TREOR (indexing) 22.2 Two-theta to d, Q, and sine squared theta 26.2 UNFOLD 31. User subfiles of JCPDS-ICDD file 5.7 View an entry in EDD 37.4 View an entry in EDD 38.5 Visser's Ito (indexing) 2.2 WARREN-AVERBACK 20.4 WARREN-AVERBACK 31. Weight percent 26.31 WERNER (indexing) 22. XRDLSQ 25.4 XRDPREP 5.1 XRDPREP 23.1 XRDPREP 25.1 XRDQUAL 23.2 XRDSORT 25.3 XRDSRCH 25.2 Year of publication (crystal data) 12.1.1.13 ZFETCH (retrieval of JCPDS-ICDD entry by chemistry) 5.5 ZFETCH (retrieval of JCPDS-ICDD entry by chemistry) 23.5