C C C MARXER.FOR C* ********************************************** C COMMON //NX,NY,NZ,IXMIN,IYMIN,IZMIN,IXMAX,IYMAX,IZMAX DIMENSION NXYZ(3),MXYZ(3),NXYZST(3) CHARACTER*80 TITLE DIMENSION IXYZMIN(3),IXYZMAX(3),OUT(9998) DIMENSION LABELS(20,10),CELL(6) COMPLEX CLINE(4999),COUT(4999) CHARACTER*50 INFILE,OUTFILE,FILENAME CHARACTER*40 FNAME,ASTRING CHARACTER*1 BLINE(2400),OUTSTRING(1200),HSTRING(16),BOXFLAG INTEGER*2 ILINE(1200),H,K,L,N LOGICAL EFLG EQUIVALENCE (NX,NXYZ), (ALINE,CLINE), (OUT,COUT), (BLINE,ILINE) EQUIVALENCE (IXYZMIN, IXMIN), (IXYZMAX, IXMAX) CHARACTER*12 AQDATE, AQTIME CHARACTER DAT*12,TIM*12 EQUIVALENCE (AQDATE,BLINE(101)),(AQTIME,BLINE(113)) INTEGER*4 ICCOUNTS(2) EQUIVALENCE (ICCOUNTS,BLINE(25)) INTEGER*4 EXPTIME EQUIVALENCE (EXPTIME,BLINE(33)) REAL*4 LAMBDA,DISTANCE,PHI_START,PHI_END EQUIVALENCE (LAMBDA,BLINE(77)),(DISTANCE,BLINE(81)),(PHI_START, - BLINE(85)),(PHI_END,BLINE(89)) R64K=256*256 R32K=128*256 DATA HSTRING/'0','1','2','3','4','5','6','7','8','9','A','B','C', - 'D','E','F'/ DATA NXYZST/3*0/, CNV/57.29578/ c DO 2 I=1,16 c2 WRITE(6,*)I,' ',HSTRING(I) WRITE(6,1000) 1000 FORMAT(//' MAR RESEARCH TO POSTSCRIPT IMAGE FILE CONVERSION . PROGRAM Version 930305'/' To print image: LPR MARXER.TMP') 5 WRITE(6,1100) 1100 FORMAT(/'$Input filename (CR to quit): ') READ(5,1200) INFILE 1200 FORMAT(A) IF (INFILE(:5).EQ.' ') STOP INQUIRE(FILE=INFILE, NAME=FILENAME,EXIST=EFLG) IF (.NOT.EFLG) GOTO 5 OPEN (UNIT=2,FILE=INFILE,readonly,STATUS='OLD') TYPE *,'Enter source for coordinates of boxes around spots:' TYPE *,'CR-no boxes. D-denzo outfile. S-spots file from IMSTILLS' TYPE *,'O-oscgen generate file' READ(5,'(A1)')BOXFLAG IF (BOXFLAG.EQ.' ') GOTO 1400 IF (BOXFLAG.EQ.'d') BOXFLAG='D' IF (BOXFLAG.EQ.'s') BOXFLAG='S' IF (BOXFLAG.EQ.'o') BOXFLAG='O' IF (BOXFLAG.EQ.'S') STOP 'USE MX5 FOR NOW!' IF (BOXFLAG.EQ.'O') STOP 'USE MX6 FOR NOW!' 330 TYPE *,'ENTER FILENAME FOR BOX COORD FILE:' 340 FORMAT (A40) 335 read(5,340)FNAME 1400 write(6,*)'Enter window (pixels; xmin,xmax,ymin,ymax;', . ' 0 0 0 0 for default):' read(5,*) i1,i2,j1,j2 WRITE(6,*)'Enter density limits (min,max) or 0,0 to autoscale' WRITE(6,*)'Density autoscaling requires two passes through the file.' READ(5,*)X0,XM C WRITE(6,1600) C1600 FORMAT('$Output filename: ') C READ(5,1200) OUTFILE c OPEN(UNIT=3,FILE=OUTFILE,STATUS='NEW',RECL=1200) OPEN (UNIT=3,FILE='MARXER.TMP',STATUS='NEW',RECL=1200, & CARRIAGECONTROL='LIST') WRITE(3,'(A)')'%!PS-Adobe-' write(3,'(A)')'/Times-Roman findfont 9 scalefont setfont' write(3,'(A)') & '/cshow {dup stringwidth pop 2 div neg 0 rmoveto show} def' CALL DATE(DAT) CALL TIME(TIM) write(3,'(A)') '50 772 moveto'// & '(Image File: '//FILENAME//' Printed:'//DAT//TIM//') show' C FIND MIN, MAX, MEAN DENSITY DMEAN=0 DMAX=-1E32 DMIN=1E32 NXYZ(1)=1200 NXYZ(2)=1200 NXYZ(3)=1 C read HEADER into bline, encode into titles: READ(2,155) (BLINE(II),II=1,2400) 155 FORMAT (4096A1) C TYPE *,'TIME: ',AQTIME C TYPE *,'DISTANCE: ',DISTANCE C TYPE *,'LAMBDA: ',LAMBDA C TYPE *,'PHI_START: ',PHI_START C TYPE *,'PHI_END: ',PHI_END ENCODE(80,6740,TITLE) AQDATE,AQTIME 6740 FORMAT('MAR IPS image of: ',2A20) 72 FORMAT(' ',A80) WRITE(6,72)TITLE write(3,'(A)') '50 752 moveto ('//title//') show' ENCODE(80,6745,TITLE) ICCOUNTS(1),ICCOUNTS(2),EXPTIME 6745 FORMAT('IC COUNTS AT START, END:',2I9,' EXPOSURE TIME (sec)',I5) WRITE(6,72)TITLE write(3,'(A)') '50 732 moveto ('//title//') show' ENCODE(80,6741,TITLE) LAMBDA,DISTANCE,PHI_START,PHI_END 6741 FORMAT('LAMBDA: ',F11.4,' DISTANCE:',F9.2,' PHI:',2F9.2) WRITE (6,72)TITLE write(3,'(A)') '50 742 moveto ('//title//') show' c Save lambda, distance for calculating resolution: wl=lambda dist = distance IF (XM.GT.0) GOTO 87 TYPE *,'READING IMAGE. FIRST PASS: FINDING MIN, MAX DENSITY' DO 85 IZ = 1,NZ DO 85 IY = 1,NY READ(2,155,end=985) (BLINE(II),II=1,2400) DO 80 IX=1,NX C TYPE *, ILINE(IX) X=ILINE(IX) IF (X.LT.0)X=X+R64K DMEAN=DMEAN+X IF (X.GT.DMAX) DMAX=X 80 IF (X.LT.DMIN) DMIN=X 85 CONTINUE nyt=ny 985 CLOSE(UNIT=2) 860 nyt=iy-1 c use only number of record read in computing average 870 DMEAN=DMEAN/(NX*NYt*NZ) TYPE *,'DMIN=',DMIN,' DMAX=',DMAX,' DMEAN=',DMEAN ENCODE(80,6750,TITLE) DMIN,DMAX,DMEAN 6750 FORMAT('MARXER V930305: Min/Max/mean density = ',2f8.0,f8.2) write(3,'(A)') '50 712 moveto ('//title//') show' OPEN (UNIT=2,FILE=INFILE,readonly,STATUS='OLD') C SKIP OVER HEADER FOR NOW: READ(2,155) (BLINE(II),II=1,2400) X0=DMEAN/2 XM=DMEAN*3 87 SCALE=(XM-X0)/16 if (j2.eq.0) then I1=163 I2=1036 J1=163 J2=1036 endif if (I1.gt.1199) I1=1199 if (I2.gt.1199) I2=1199 if (J1.gt.1199) J1=1199 if (J2.gt.1199) J2=1199 in=1+i2-i1 jn=1+j2-j1 nmax=in if (jn.gt.nmax) nmax=jn ENCODE(80,6742,TITLE) X0,XM,I1,I2,J1,J2 6742 FORMAT('Density Limits:',2F8.1, . ' Selected Map Limits (X,Y)=',4I5) WRITE (6,72)TITLE write(3,'(A)') '50 762 moveto ('//title//') show' ENCODE(80,6743,TITLE) float(nmax)/20.,0.15*float(nmax)/20. 6743 FORMAT('Scale: 1 cm=',F8.2,' pixels =',f8.3, . ' mm on imaging plate') WRITE (6,72)TITLE write(3,'(A)') '50 722 moveto ('//title//') show' write(3,'(A)') '583 363.6 translate -90 rotate' write(3,'(A)') '0 4 moveto (TOP (view from source)) cshow' C WRITE POSTSCRIPT PRELUDE: WRITE(3,'(A)')'gsave initgraphics %0.24 0.24 scale' WRITE(3,'(A)')' {1 exch sub} settransfer' n=jn J3=J2 if (n.ne.(2*int(n/2))) then n=jn+1 J3=J2+1 endif WRITE(3,76) n 76 format (' /imline ',i4,' string def') write(3,77) jn,in,nmax,-nmax,nmax 77 format (' /drawimage {',2i5,' 4 [',i5,' 0 0 ',i5,' 0 ',i5,']') WRITE(3,'(A)')' {currentfile imline readhexstring pop} image} def' c scale for unit square = 20 cm square write(3,'(A)')'18 75 translate 566.9 dup scale' c write(3,'(A)')'105 314 translate 2340 2340 scale' WRITE(3,'(A)')'drawimage' c note i1,i2,in refer to dimension across records. c MRC considers this Y, mars X c j1,j2,jn refer to dimension along one record. MRC X, mars Y. DO 88 IY = 1,I1-1 88 READ(2,155,end=980) (BLINE(II),II=1,2400) DO 95 IY = I1,I2 READ(2,155,end=980) (BLINE(II),II=1,2400) DO 90 IX=J1,J3 X=ILINE(IX) c IF (X.LT.0)X=X+R32K IF (X.LT.0)X=X+XM JX=INT((X-X0)/SCALE) IF (JX.GT.15) JX=15 IF (JX.LT.0) JX=0 90 OUTSTRING(IX)=HSTRING(JX+1) 95 WRITE(3,156)(OUTSTRING(IX),IX=J1,J3) 156 FORMAT(125A1) goto 990 980 iyt=iy do 97 ix=j1,j3 97 outstring(ix)=hstring(1) do 98 iy=iyt,i2 98 WRITE(3,156)(OUTSTRING(IX),IX=J1,J3) 990 CLOSE(UNIT=2) C WRITE OUT REST OF POSTSCRIPT: WRITE(3,'(A)')'0 0 moveto 0 1 lineto 1 1 lineto 1 0 lineto 0 0 lineto' WRITE(3,'(A)')'0.000855 setlinewidth closepath clip' WRITE(3,'(A)')'{} settransfer stroke' z=1/float(nmax) c Scale for 1 unit = 1 pixel (now 1 unit = nmax pixels) WRITE(3,343) z,z 343 FORMAT(' 0 1 translate -90 rotate ',2F10.7 ' scale') c Should be -i1, -j1 translate, but denzo spots centered with 1 added. WRITE(3,344) 1-i1,1-j1 344 format(2i6,' translate ') WRITE(3,'(A)') '0 setlinewidth 0 setgray {} settransfer' IF (FNAME(:3).EQ.' ') GOTO 501 IF (BOXFLAG.EQ.' ') GOTO 501 IF (BOXFLAG.NE.'D') GOTO 501 c***************************** WRITE(3,'(A)') '/cir { r 0 360 arc stroke} def' WRITE(3,'(A)') '/sqr {moveto r dup neg dup rmoveto 2 mul dup 0 exch' WRITE(3,'(A)') ' rlineto dup 0 rlineto neg dup 0 exch rlineto' WRITE(3,'(A)') ' 0 rlineto closepath stroke} def' WRITE(3,'(A)') '/r 6 def' TYPE *,'READING DENZO OUTPUT FILE for spot locations' OPEN(UNIT=2,FILE=FNAME,readonly,STATUS='OLD') DO 345 I=1,5 345 READ (2,350)ASTRING C TYPE*, ASTRING 350 FORMAT (A40) N1=0 N2=0 C 355 READ (2,360)X 360 FORMAT (F7.4) 370 READ(2,101,END=500)H,K,L,J,X1,X2,X,S,X,X,Y N1=N1+1 101 FORMAT (I4,2I4,I2,F8.0,F8.1,F7.2,F6.1,F6.3,F7.1,F7.1,F6.3,F8.1) C IGNORE LOW-INTENSITY SPOTS C IF (X1.LT.100) GOTO 370 C Ignore offscale spots: if ((x.lt.i1).or.(x.gt.i2)) goto 370 if ((y.lt.j1).or.(y.gt.j2)) goto 370 write (6,369)h,k,l,j,x,y 369 format(' h k l:',3i4,' p-flag:',i3,' x,y pixel:',2f6.1) IF (J.EQ.1) then C PUT CIRCLE AROUND PARTIAL WRITE(3,371) X,Y 371 FORMAT(2F7.1,' cir') else C PUT SQUARE AROUND FULLY RECORDED 380 WRITE(3,381) X,Y 381 FORMAT(2F7.1,' sqr') endif GOTO 370 500 CLOSE (UNIT=2) write(3,'(A)')' stroke' C501 write(6,*)'Enter beam center x,y, wl, and distance; or 0,0,0,0', C & ' to not draw circles:' C write(6,*)'(beam center and distance in mm, wl in A.U.)' C read(5,*)beamx,beamy,wl,dist 501 write(6,*)'Enter beam center in mm: x,y; or 0,0 to not draw ', & 'circles:' read(5,*)beamx,beamy if (beamx.eq.0) goto 505 c convert to pixels: beamx=beamx/0.15 beamy=beamy/0.15 write(6,*)'Enter resolution in angstroms at which to draw circle:' write(6,*)'Enter 0 after last circle' 502 read(5,*)resol if (resol.eq.0) goto 505 c calc radius in mm x=wl/(2*resol) theta=ASIN(x) radius=dist*TAN(2*theta) c convert to pixels: radius=radius/0.15 write(6,*)beamx,beamy,radius write(3,504) beamx,beamy,radius 504 format (' ',3f8.2,' 0 360 arc stroke') goto 502 505 WRITE(3,'(A)')' showpage grestore' CLOSE (UNIT=3) TYPE *,'NUMBER OF SPOTS REPORTED:',N1,' NUMBER USED:',N2 write(6,*)'NOT LPR-ing marxer.tmp' C J=LIB$SPAWN('LPR MARXER.TMP') C J=LIB$SPAWN('DEL MARXER.TMP;*') write(6,*)'NOT purging marxer.tmp' C J=LIB$SPAWN('PURGE MARXER.TMP') GOTO 5 END