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pickauto
PROGRAM TO INTEGRATE SPOTS ON A LATTICE
C ********* PICKAUTOK ********************************************************** C derived from PICKYCOR much modified program for e.d. spot integration. C remember to change version number if you update. C VX1.00 pre-1982 JMB/RH original version C VX2.00 21.11.85 TAC C VX2.01 18.5.87 RH annotations added post TAC. C VX2.02 20.5.87 RH larger index range up to +/-70. C VX3.00 25.3.92 RH reads more lattice params from header. C VX3.01 08.4.92 RH radii in Angstroms, rather than pixels. C VX3.02 22.5.92 RH resolution statistics C VX3.03 21.3.93 RH default NSTEP=4 C VX3.04 12.11.94 RH test IOVER,IUNDER in CENTRE subroutine C VX3.05 13.11.94 RH change ISIZE->NX,NY and >=2 backgrounds C VX3.06 25.7.95 RH minor debug - no path to statement C VX3.07 11.10.95 RH "is OK" added to Friedel output list. C VX3.08 19.3.96 RH introduce MAXDIM for pattern size C VX3.09 9.05.96 RH consolidate Jude's improvements C VX3.10 6.05.97 RH change PEN(2) to PEN(1) C VX4.00 18.08.00 RH convert to plot2000 plot subroutines C " 13.6.01 TSH P2K_FONT needed string terminator C C FLAG TO SUPRESS EXCESSIVE PRINTOUT ADDED, TAC 21-NOV-85 C NEW VAR TO DEFINE TILT ANGLE DIRECTION ON MICROSCOPE, TAC 19-NOV-84 C NOTE: C ****CONVENTIONS FOR TILTDIR APPLICABLE FOR 600 TO 1000 MM CAMERA C ****LENGTH ON EM400 MICROSCOPE, WITH OBJECTIVE LENS CURRENT UNDERFOCUSSED. C C NOW DOES A YCORRECTION TO REMOVE DENSITOMETER OD DRIFT (JMB) APPROX 1984. C WITH ADDITIONS TO DEAL AUTOMATICALLY W. TLTAXA,TLTANG 25.6.82. C READS RADIAL AVERAGE BACKGROUND CURVE WITH STANDARD DEVIATIONS C TESTS POINTS IN BACKGROUND RASTERS AGAINST MEAN AND STNDEV AT C APPROPRIATE RADIUS; REPLACES VALUE BY MEAN VALUE AT THIS RADIUS C IF DEVIATION IS MORE THAN 3*STNDEV; KEEPS COUNT OF NUMBER OF C SUCH POINTS -- MAY 82 .JMB. C NOW PLOTS RESIDUAL SPOT C.OF G. VECTOR ON UNIT 8, 14.1.81 C OFFSET R**3 DISTORTION CORRECTION AND AUTOMATIC MAXRAD CUTOFF 14.1.81 C B3 NOW SEARCHED WITHOUT OFFSET -MAY 82- MORE STABLE ALGORITHM. C PICKTILT WITH RADIAL BACKGROUND CORRECTION, 19.5.80 C PICKOFF, JOYCE-LOEBL AND NIKON VERSION 29.11.79 C LARGER DIMENSIONS AND RASTER, GREATER OVERLAP BETWEEN STRIPS, 3.12.79 C MODIFIED FOR TILTED PATTERNS WITH BLURRED SPOTS IN ONE DIRN, 14.12.79 C CORRECTS FOR CURVED EWALD SPHERE ROUGHLY, 20.1.81 C CHANGED TO ADD *** TO LAST COLUMNS OF TITLE AND SOME EXTRA NUMBERS. C PROGRAM TO INTEGRATE SPOTS ON A LATTICE, STARTING FROM A RECTANGULAR C RASTER SCAN OF THE AREA . EG . OUTPUT FROM ROYAL OBSERVATORY SCANNER C C DATA CARDS ARE C 1. A,B,G,ANGDIS,SHRINK,TILTDIR,KV,LPRINT C REAL SPACE CELL DIMENSIONS AND GAMMA ANGLE, ANGLE ON FILM C PERPENDICULAR TO WHICH A SHRINKAGE BY FACTOR SHRINK IS TO BE C APPLIED BEFORE CALCULATING FINAL TLTAXIS AND TILTANGLE. C TILTDIR - DIRECTION OF TILT ON MICROSCOPE, C -1 = CLOCKWISE C +1 = COUNTERCLOCKWISE C LPRINT - T=PRINT ALL REFLECTION INFORMATION C 2. J,K C LOOK-UP TABLE FOR OPTICAL DENSITY; LOOKUP(J)=K C THIS IS LINEARLY INTERPOLATED FOR J=1,1500. THE FIRST CARD MUST C HAVE J=1 AND THE LAST J=1500. C 3. TITLE FOR LOOK-UP TABLE C 4. NPLATE C PLATE NUMBER C 5. TITLE C TITLE OF DIFFRACTION PATTERN, FOR USE ON OUTPUT FILE. C 6. B1, B3 C RADIAL DISTORTION PARAMETERS, ONLY B3 USED CURRENTLY. C 7. X0,Y0, C 7a. TLTAXA,TLTANG C COORDINATES OF CENTRE, POSITION OF TILTAXIS (ANGLE FROM TILTAXIS C TO A-AXIS IN DIRECTION A TO B POSITIVE), SIZE OF TILTANGLE, C TLTAXA,TLTANG OVERRIDE VALUES CALCULATED INTERNALLY, UNLESS = 0. C NOTE-----TLTAXA HERE IS ANGLE BETWEEN TILTAXIS AND ASTAR ON FILM. C 8. DX1,DY1,DX2,DY2 C POSITION OF (1,0) AND (0,1) RELATIVE TO CENTRE. IF ZERO, THESE C ARE TAKEN FROM INPUT FILE HEADER. C 9. ROUT,RIN,PRPMAX : 4-Apr-1992 now in Angstroms, converted to pixels. C OUTER AND INNER RADII ; MAXIMUM PERPENDICULAR RESOLUTION FROM C TILT AXIS FOR SPOTS TO BE INTEGRATED C 10. NXM,NYM,NSM,NXB,NYB,NSB,NPOS (TWICE),NTYPE C NXMT,NYMT, ETC. C PEAK AND BACKGROUND RASTERS AND POSITION OF BACKGROUND. C THESE NUMBERS PUT IN TWICE IF IT IS A TILTED DIFFRACTION C PATTERN, TO GIVE RASTER SIZE, ETC AT MOST BLURRED PART OF PATTERN. C NPOS=1 IS AT CENTROID OF TRIANGLE, NPOS=2 IS TWICE AS NEAR SPOTS, ETC. C NTYPE=0,OR 1 DETERMINES POSITION OF 6 BCKGROUNDS AS SHOWN IN C OUTPUT OF BCKGROUND PROGRAM C NTYPE=2 GIVES 4 BCKGROUNDS AT CENTRES OF LATTICE; C 11. FRACT,ABSOL,XAMINE,NCYC,NCYC1 C REFLECTIONS WITH FRIEDEL DIFFERENCES GREATER THAN FRACT AND ABSOL C ARE REJECTED. WEAK REFLECTIONS ARE REJECTED FROM CENTRE OF GRAV. C AND LATTICE PARAMETER CALCULATIONS BY A CRITERION USING XAMINE. C NCYC=N FOR FIXED NUMBER OF CYCLES=N C NCYC=0 MEANS GO STRAIGHT TO DATA ASSESSMENT USING INPUT PARAMETERS C NCYC1=1 FOR PRINT ALL CENTERING RASTERS ON FIRST CYCLE C 12. NELIM C IF +VE, NUMBER OF REFLECTIONS TO BE EXCLUDED FROM LATTICE C REFINEMENT; IF -VE, -NUMBER OF REFLECTIONS WHOSE RASTERS C ARE TO BE DISPLAYED C 13. NELH(I),NELK(I),I=1,8 C UP TO 8 INDICES OF REFLECTIONS TO BE EXCLUDED FROM REFINE; OR C UP TO 8 INDICES OF REFLECTIONS TO BE DISPLAYED; C OMIT THIS CARD IF NELIM=0 C C INPUT AND OUTPUT************************************************************** C C UNIT 1 : INPUT DENSITOMETERED FILM ARRAY, any size C UNIT 2 : OUTPUT OF INTEGRATED BACKGROUND SUBTRACTED INTENSITIES. C UNIT 3 : INPUT RADIAL DENSITY CURVE FOR BACKGROUND CORRECTION. C UNIT 4 : INPUT Y-AXIS DENSITOMETER DRIFT CURVE FOR BACKGROUND CORRECTION. C UNIT 5 : INPUT DATASTREAM. C UNIT 6 : OUTPUT DATASTREAM. C UNIT 8 : PLOTTER OUTPUT OF SPOT POSNS. AND C.OF G. DEVIATIONS. C UNIT 9 : INPUT header of image file with autoindexed lattice parameters C C C******************************************************************************* C
