\vfill\eject
\subrub Sample LOGIC Run\par
The following section shows the output from program LOGIC in response
to the commands in Example 1(b), above. The sequence in the example 
is repeated twice, first where commands are input with all needed 
qualifiers and parameters. In the second case, no qualifiers or 
parameters are specified and the program prompts to select options 
and request values.

Computer output is shown in |this typestyle|, while user responses are
given in {\it italics}; {\it |<|CR|>|} indicates where the Return (or Enter)
key has been pressed without other input to select the default response.

{\it\obeylines\obeyspaces\parskip=2pt\baselineskip=5pt

|		Welcome to the POWDER SUITE|
| |
|Available Options Are:|
|	HELP, LOGIC, SEARCH, INIT, EXIT|
|ENTER OPTION> |logic| |
|Welcome to program LOGIC.  |
| |
|Copyright 1988-1990 by Brian H. Toby and E. I. du Pont de Nemours and Co.|
|JCPDS database Copyright 1990 by the International Centre for Diffraction Data|
| |
|Select a starting subfile:|
|   (0)  Full JCPDS database (default)|
|   (1)  Inorganic subfile             |
|   (2)  Organic subfile               |
|   (3)  Common phases subfile         |
|   (4)  Minerals subfile              |
|   (5)  Metals and alloys subfile     |
|   (6)  NIST patterns subfile         |
|   (7)  Forensic materials subfile    |
|   (8)  Zeolite subfile               |
|   (9)  Deleted Patterns subfile      |
|  (10)  Locally entered subfile       |
|  (11)  Null (empty) subfile          |
|  (12)  User supplied subfile         |
|  (-1)  Enter and display JCPDS card(s) by number|
|Choose an option by number [Default=0]: <|CR|> |
| |
|The current table contains 53010 hits, out of 57981|
| |
|Press RETURN to continue|
| |
|------------------------------------------------------------------------|
| LOGIC v3.1                          No Deleted               D-space|
|------------------------------------------------------------------------|
| |
|                                                 NUMBER OF PHASES: 53010|
|Current LOGIC List:|
|   1) DELETED/EXCLUDE|
|   2) Starting with Full JCPDS database (w/o deleted entries)|
|Enter a LOGIC command (or HELP)|
|LOGIC> |read/rep/sub=null| |
| |
|File "Null (empty) subfile" contains     0 hits, out of 57981|
| |
|Press RETURN to continue|
| |
|------------------------------------------------------------------------|
| LOGIC v3.1                          No Deleted               D-space|
|------------------------------------------------------------------------|
| |
|                                                 NUMBER OF PHASES:     0|
|Current LOGIC List:|
|   1) DELETED/EXCLUDE|
|   2) READ/REPLACE file: "Null (empty) subfile"|
|Enter a LOGIC command (or HELP)|
|LOGIC> |add/elem=(si,o)/opt=(al,h)| |
| |
|There are    98 hits corresponding to logic:|
|   /ELEMENTS=(O,Si)/EXACT/OPTIONAL=(H,Al)|
|...After removing deleted entries there are   75 hits|
| |
|Current Table contains     0 hits, out of 57981|
|After the ADD operation, the Table will contain    75 hits|
| |
|Proceed with change to table? (Y/N) [default=Y]: <|CR|> |
| |
|------------------------------------------------------------------------|
| LOGIC v3.1                          No Deleted               D-space|
|------------------------------------------------------------------------|
| |
|                                                 NUMBER OF PHASES:    75|
|Current LOGIC List:|
|   1) DELETED/EXCLUDE|
|   2) READ/REPLACE file: "Null (empty) subfile"|
|   3) ADD/ELEMENTS=(O,Si)/EXACT/OPTIONAL=(H,Al)|
|Enter a LOGIC command (or HELP)|
|LOGIC> |browse| |
|Initializing PDF-2 database|
| |
|Opening the PDF-2 disk file PUBLIC_DISK:[PS.SET40]JCPDS.DIRECT;1|
| |
|Press return to sequence though the phases|
|	+n   to skip ahead by "n" phases,|
|	-n   to skip backward by "n" phases,|
|	>n   to skip to entry number "n",|
|	[crd to skip to JCPDS entry "crd",|
|	C    to Cull (remove) current entry from table,|
|	P    to Print current entry SUMMARY and advance to next,|
|	D    to Display all data on the current entry,|
|	A    to print All data on the current entry,|
|	^Z or E to return to the main menu|
|(Commands:+n,-n,>n,[c,^Z=exit,?=help) press return for phase #1: <|CR|> |
| |
|[090451]     I/Ic=  0.00E+00  QM=                     Phase 1 of 75|
|         Al2 Si2 O5 ( O H )4 !2 H2 O|
|         ALUMINUM SILICATE HYDROXIDE HYDRATE / HALLOYSITE-10A|
| 10.099  90|
|  4.420 100|
|  3.340  90|
|  2.560  80|
|  2.360  60|
|  2.230  20|
|  2.060  10|
|  1.678  80|
|  1.481  90|
|  1.283  70|
|  1.232  70|
|  1.105  40|
|  1.021  20|
|  0.963  20|
|  0.855  40|
|  0.838  20|
|(Commands:P,C,+n,-n,>n,[#,D,A,^Z=exit,?=help) Phase #1/75> <|CR|> |
| |
| |
|[090453]     I/Ic=  0.00E+00  QM=                     Phase 2 of 75|
|         Al2 Si2 O5 ( O H )4|
|         ALUMINUM SILICATE HYDROXIDE / HALLOYSITE-7A|
|  7.499  90|
|  4.420 100|
|  3.630  90|
|  2.560  80|
|  2.360  60|
|  2.230  20|
|  2.060  10|
|  1.678  80|
|  1.481  90|
|  1.283  70|
|  1.232  70|
|  1.105  40|
|  1.021  20|
|  0.963  20|
|  0.855  40|
|  0.838  20|
|(Commands:P,C,+n,-n,>n,[#,D,A,^Z=exit,?=help) Phase #2/75> <|CR|> |
| |
|[100446]     I/Ic=  0.00E+00  QM=i                    Phase 3 of 75|
|         Al2 Si2 O5 ( O H )4|
|         ALUMINUM SILICATE HYDROXIDE / DICKITE-2MT2M#1\RG|
|  7.150 100      2.326  90|
|  4.460  40      2.212  20|
|  4.438  40      2.106  10|
|  4.366  40      2.025   5|
|  4.267  30      1.975  50|
|  4.124  70      1.937  10|
|  3.961  20      1.898  20|
|  3.799  60      1.859  30|
|  3.580 100      1.805  10|
|  3.430  30      1.785  10|
|  3.262  20      1.762   5|
|  3.099  20      1.720  10|
|  2.938  20      1.686  10|
|  2.796  20      1.652  50|
|  2.562  20      1.613  10|
|  2.556  20      1.586  10|
|  2.528   5      1.555  40|
|  2.510  50      1.508   5|
|  2.411   5      1.489  50|
|  2.386  10|
|(Commands:P,C,+n,-n,>n,[#,D,A,^Z=exit,?=help) Phase #3/75> |d| |
| |
|10-446                JCPDS-ICDD Copyright 1990                    QM= i|
|Al Si O (OH)                                |
|  2  2 5    4                               |
| |
|Aluminum Silicate Hydroxide                                   Dickite-\IT2M#1\RG|
| |
|-------------------------------------------------------------------------------|
|Rad:     CuKa  Lambda: 1.5418          Filter: Ni            d-sp: D.S. -114.6 |
|Cutoff:        Int: Visual             I/Icor:         |
|Ref: Newnham, Brindley, Private Communication|
| |
|-------------------------------------------------------------------------------|
|Sys: Monoclinic             S.G.: Cc (9)              |
|a: 5.149          b: 8.949          c: 14.419         A:           C:         |
|A:                B: 96.80          C:                Z: 4      mp: |
|Ref: Newnham, Brindley, Acta Crystallogr., 9 759 (1956)|
| |
|Dx:  2.60     Dm:           SS/FOM: F(30)=27.9(.0179,60)  |
|-------------------------------------------------------------------------------|
|ea: 1.565       nwB: 1.566       ey: 1.568       Sign: +    2V: 73 deg.     |
|Ref: Newnham, Thesis, P., Pennsylvania State Univ., University Park,|
|Pennsylvania, USA., Private Communication|
|Enter N or <CR> for Next pg; P for Previous; E to Exit <|CR|> |
| |
| |
|10-446                JCPDS-ICDD Copyright 1990                    QM= i|
|Color: Colorless |
|Dickite from Schuylkill, Pennsylvania, USA.  Bailey [Am. Mineral., |
|48 1196, (1963)] proposes new setting with a, b, as above, c=14.736, |
|beta=103 deg.35; gives fully indexed powder pattern.  Intensities verified by |
|calculated pattern.  Other data 10-430.  Kaolinite-Serpentine group, |
|dioctahedral subgroup.  C.D. Cell: a=14.419, b=8.949, c=5.149, beta=96.80, |
|a/b=1.6112, c/b=0.5754, S.G.=Aa (9).  PSC: mC68.  Plus reflections to 1.126.  |
|Mwt: 258.16.  Volume[CD]: 659.73.  |
| |
|Strong lines:  7.15/X  3.58/X  2.33/9  4.12/7  3.80/6  2.51/5  1.98/5  1.65/5 |
|Enter N or <CR> for Next pg; P for Previous; E to Exit <|CR|> |
| |
| |
|10-446                JCPDS-ICDD Copyright 1990                    QM= i|
| 39 reflections in pattern.  Page 1 of 2.  Radiation=  1.54050|
|-------------------------------------------------------------------------------|
|!   d A   ! Int.!        h k l         !   d A   ! Int.!        h k l         !|
|!---------+-----+----------------------+---------+-----+----------------------!|
|! 7.15    ! 100 !        0  0  2       ! 2.556   !  20 !        2  0  0       !|
|! 4.46    !  40 !        0  2  0       ! 2.528   !   5 !       -1  1  5       !|
|! 4.438   !  40 !        1  1  0       ! 2.510   !  50 !        1  3  1       !|
|! 4.366   !  40 !       -1  1  1       ! 2.411   !   5 !        0  2  5       !|
|! 4.267   !  30 !        0  2  1       ! 2.386   !  10 !        0  0  6       !|
|!         !     !                      !         !     !                      !|
|! 4.124   !  70 !        1  1  1       ! 2.326   !  90 !       -1  3  3       !|
|! 3.961   !  20 !       -1  1  2       ! 2.212   !  20 !        1  3  3       !|
|! 3.799   !  60 !        0  2  2       ! 2.106   !  10 !        0  2  6       !|
|! 3.580   ! 100 !        0  0  4       ! 2.025   !   5 !        0  4  3       !|
|! 3.430   !  30 !       -1  1  3       ! 1.975   !  50 !       -1  3  5       !|
|!         !     !                      !         !     !                      !|
|! 3.262   !  20 !        0  2  3       ! 1.937   !  10 !        2  2  3       !|
|! 3.099   !  20 !        1  1  3       ! 1.898   !  20 !        0  4  4       !|
|! 2.938   !  20 !       -1  1  4       ! 1.859   !  30 !        0  2  7       !|
|! 2.796   !  20 !        0  2  4       ! 1.805   !  10 !        2  2  4       !|
|! 2.562   !  20 !       -1  3  1       ! 1.785   !  10 !        1  1  7       !|
|-------------------------------------------------------------------------------|
|Enter N or <CR> for Next pg; P for Previous; E to Exit; D/2/1/S/Q to convert <|CR|> |
| |
|10-446                JCPDS-ICDD Copyright 1990                    QM= i|
| 39 reflections in pattern.  Page 2 of 2.  Radiation=  1.54050|
|-------------------------------------------------------------------------------|
|!   d A   ! Int.!        h k l         !   d A   ! Int.!        h k l         !|
|!---------+-----+----------------------+---------+-----+----------------------!|
|! 1.762   !   5 !        0  4  5       !         !     !                      !|
|! 1.720   !  10 !       -1  1  8       !         !     !                      !|
|! 1.686   !  10 !       -3  1  1       !         !     !                      !|
|! 1.652   !  50 !       -1  3  7       !         !     !                      !|
|! 1.613   !  10 !       -1  5  3       !         !     !                      !|
|!         !     !                      !         !     !                      !|
|! 1.586   !  10 !       -2  2  7       !         !     !                      !|
|! 1.555   !  40 !       -2  0  8       !         !     !                      !|
|! 1.508   !   5 !        0  4  7       !         !     !                      !|
|! 1.489   !  50 !       -3  3  1       !         !     !                      !|
|-------------------------------------------------------------------------------|
|Enter N or <CR> for Next pg; P for Previous; E to Exit; D/2/1/S/Q to convert <|CR|> |
|(Commands:P,C,+n,-n,>n,[#,D,A,^Z=exit,?=help) Phase #3/75> ^|Z| |
| |
|------------------------------------------------------------------------|
| LOGIC v3.1                          No Deleted               D-space|
|------------------------------------------------------------------------|
| |
|                                                 NUMBER OF PHASES:    75|
|Current LOGIC List:|
|   1) DELETED/EXCLUDE|
|   2) READ/REPLACE file: "Null (empty) subfile"|
|   3) ADD/ELEMENTS=(O,Si)/EXACT/OPTIONAL=(H,Al)|
|Enter a LOGIC command (or HELP)|
|LOGIC> |read| |
|Choose a (sub)file to read:|
|   (0)  Full JCPDS database (default)|
|   (1)  Inorganic subfile             |
|   (2)  Organic subfile               |
|   (3)  Common phases subfile         |
|   (4)  Minerals subfile              |
|   (5)  Metals and alloys subfile     |
|   (6)  NIST patterns subfile         |
|   (7)  Forensic materials subfile    |
|   (8)  Zeolite subfile               |
|   (9)  Deleted Patterns subfile      |
|  (10)  Locally entered subfile       |
|  (11)  Null (empty) subfile          |
|  (12)  User supplied subfile         |
|  (13)  Read a list of JCPDS cards from a file|
|  (-1)  Enter a range of JCPDS cards|
|Enter a number corresponding to the (sub)file: |11| |
| |
|File "Null (empty) subfile" contains     0 hits, out of 57981|
| |
|Press RETURN to continue|
| |
|------------------------------------------------------------------------|
| LOGIC v3.1                          No Deleted               D-space|
|------------------------------------------------------------------------|
| |
|                                                 NUMBER OF PHASES:     0|
|Current LOGIC List:|
|   1) DELETED/EXCLUDE|
|   2) READ/REPLACE file: "Null (empty) subfile"|
|Enter a LOGIC command (or HELP)|
|LOGIC> |add| |
|The logical options are:|
|	(1) ELEMENTS -- search by chemical composition|
|	(2) CARDS    -- search by JCPDS card number|
|	(3) PEAKS    -- search by angles/d-spaces|
|	(4) COUNT    -- search by # of elements in material|
| |
|Choose an option number: |1| |
| |
|Enter the chemical symbols for elements one per line (case will be ignored)|
|Enter a blank line when done.|
|ELEMENT> |si| |
|ELEMENT> |o| |
|ELEMENT> <|CR|> |
|Choose a logic type: |
|  (1) OR       -- materials with ANY of the selected elements|
|  (2) AND      -- materials with ALL of the selected elements|
|  (3) EXACT    -- materials with ALL of the selected elements|
|                  and no others|
|  (4) OPTIONAL -- same as EXACT but specified optional elements|
|                  may or may not be present|
|Enter your choice (default=2): |4| |
|Enter the chemical symbol for elements to be ignored|
|OPTIONAL> |al| |
|OPTIONAL> |h| |
|OPTIONAL> |
| |
|There are    98 hits corresponding to logic:|
|   /ELEMENTS=(O,Si)/EXACT/OPTIONAL=(H,Al)|
|...After removing deleted entries there are   75 hits|
| |
|Current Table contains     0 hits, out of 57981|
|After the ADD operation, the Table will contain    75 hits|
| |
|Proceed with change to table? (Y/N) [default=Y]: <|CR|> |
| |
|------------------------------------------------------------------------|
| LOGIC v3.1                          No Deleted               D-space|
|------------------------------------------------------------------------|
| |
|                                                 NUMBER OF PHASES:    75|
|Current LOGIC List:|
|   1) DELETED/EXCLUDE|
|   2) READ/REPLACE file: "Null (empty) subfile"|
|   3) ADD/ELEMENTS=(O,Si)/EXACT/OPTIONAL=(H,Al)|
|Enter a LOGIC command (or HELP)|
|LOGIC> |browse| |
| |
|Press return to sequence though the phases|
|	+n   to skip ahead by "n" phases,|
|	-n   to skip backward by "n" phases,|
|	>n   to skip to entry number "n",|
|	[crd to skip to JCPDS entry "crd",|
|	C    to Cull (remove) current entry from table,|
|	P    to Print current entry SUMMARY and advance to next,|
|	D    to Display all data on the current entry,|
|	A    to print All data on the current entry,|
|	^Z or E to return to the main menu|
|(Commands:+n,-n,>n,[c,^Z=exit,?=help) press return for phase #1:  <|CR|>|
| |
|[090451]     I/Ic=  0.00E+00  QM=                     Phase 1 of 75|
|         Al2 Si2 O5 ( O H )4 !2 H2 O|
|         ALUMINUM SILICATE HYDROXIDE HYDRATE / HALLOYSITE-10A|
| 10.099  90|
|  4.420 100|
|  3.340  90|
|  2.560  80|
|  2.360  60|
|  2.230  20|
|  2.060  10|
|  1.678  80|
|  1.481  90|
|  1.283  70|
|  1.232  70|
|  1.105  40|
|  1.021  20|
|  0.963  20|
|  0.855  40|
|  0.838  20|
|(Commands:P,C,+n,-n,>n,[#,D,A,^Z=exit,?=help) Phase #1/75> ^|Z| |
| |}
