ttboxk
prints out amplitudes & phases in N * N boxes from a Fourier transform, fully corrected for contrast transfer function in tilted image.
C******************************************************************************* C C TTBOXK : prints out amplitudes & phases in N * N boxes from a C Fourier transform, fully corrected for contrast transfer function C in tilted image. C C Version 1.01 9 Dec 1985 RH C 1.02 14 Feb 1986 RH SEGMNT option. C 1.03 18 Nov 1987 JMB Rectangular images C 1.04 12 Jul 1988 RH Newstyle plot output & IQ=9 added. C 1.05 10 Sep 1988 RH Increase TITLE to 68 bytes. C 1.06 2 Jan 1989 RH ICTFBXMAX upped to 120,NMAX to 2000. C 1.07 24 Jan 1989 RH IQ=8 now plotted as a small dot. C 2.00 3 Jan 1992 RH Convert to UNIX for Alliant C 2.01 6 Oct 1992 RH Extra column on output - dummy C 2.02 21 Mar 1993 RH minor bug pi=3.1415926 C 3.00 24 Sep 1999 RH changed background definition -> TTBOXA C 4.00 28 Aug 2000 RH convert to plot2000 (postscript O/P) C 4.01 13 Jun 2001 TSH P2K_FONT needed string terminator C 4.02 29 Oct 2001 RH change filenames to CHARACTER*80 C 5.00 30 Oct 2005 HS 2dx C C The change to TTBOXA on 24.9.99 was made to eliminate the effect that has C been observed by those who have been applying a rather tight box to the C image area (to select the best regions), which is that the number of "good" C spots tends to increase as the area boxed decreases, but in a way which does C not indicate better data (e.g. high IQ spots occur at ridiculously high C resolution). This was due to a different algorithm being used for peak and C background in the calculation of the IQ value of the spots, such that when C adjacent pixels in the transform are correlated, as occurs with images C containing only a small boxed area, the ratio of peak to background increases C slightly giving an appearance of improvement where none actually occurs. C This has been corrected from version 3.00 onwards by changing the background C calculation so that it uses the same algorithm as the peak. The change has C a very small effect on unboxed transforms but effectively eliminates the C spurious spots on heavily boxed images with IQ values of 3 or even 2 where C there is in reality only noise. An additional fudge-factor of 1.10 has been C applied in the subroutine GET_RMSBK to make the signal-to noise ratio of C spots with the same IQ-value identical to that used in earlier versions of C TTBOX on full-size unboxed images. C C C DATACARDS ---------------------------------------------- C C 1. FILIN -- full name of input file (.FFT) C C 2. ISER,TITLE (I10,17A4) C C 3. GENGRID (A) C C 4. GENPTS (A) C C 4a. LISTPTS (A) C 4b. PLOTPTS (A) C C 5. ISIZEX,ISIZEY,DSTEP,XMAG,CS,KVOLT (*) C C 6. DFMID1,DFMID2,ANGAST,TLTAXIS,TLTANGL (*) C C 7. IOUT,NUMSPOT, NOH, NOK, NHOR, NVERT (*) C C 8. FILOUT only if IOUT.NE.0 -- full name of output file, formatted data. C C 9 RESMIN, RESMAX, XORIG, YORIG, SEGMNT (*) C C 10. if GENGRID or GENPTS : AX, AY, BX, BY (*) C C 11. if GENPTS : IH(I), IK(I) (*) C if .not.GENGRID and .not.GENPTS : IH(I), IK(I), X(I), Y(I) (*) C C C ISER serial number for run to be printed & output on IOUT. C TITLE title to be printed & output on unit IOUT. C GENGRID if YES generate grid from lattice points (1,0) & (0,1). C GENPTS if YES individual spots requested & generated from grid C if NO all spots within RESMIN to RESMAX generated. C LISTPTS if YES list spots whose amps and phases will be output. C PLOTPTS if YES plot spots with IQ<8 using symbol size propnl to 8-IQ C ISIZEX,Y size of image in x and y, checked against file-header. C DSTEP densitometer stepsize in microns. C XMAG magnification of micrograph. C CS spherical aberration coefficient in mm. C KVOLT microscope voltage in KV, used to calculate wavelength. C DFMID1 defocus in one direction (underfocus +ve) C DFMID2 defocus at 90-degs to above C ANGAST direction for DFMID1 in degrees relative to x,y in transform. C TLTAXIS direction of tiltaxis in degrees relative to x,y in transform, C should be between -90 and +90 degrees. C TLTANGL magnitude of tiltangle. C (+ve for less underfocus at start of scan(y=0)). C if tiltaxis is precisely parallel to y, then TLTANGL C should be positive for less underfocus at x=0. C IOUT output unit number for serial number and title, followed by C IH,IK,A,P,IQ terminated with IH=100. C NUMSPOT number of spots to be printed. C NOH, NOK number of orders of spots in H & K directions to be generated. C NHOR, NVERT box size in grid units in horizontal & vertical directions, C i.e. X & Y resp. ( up to 20 grid units in each C direction). C RESMIN, RESMAX inner & outer resolution limits in Angstroms within which C spots(centre of box) must fall. C XORIG, YORIG X & Y phase origin shifts to be added to those C added to those read in on the transform. C SEGMNT segment of reciprocal space within which spots C must fall to be include in this run. +/- 90 C includes all spots, +45 is half data near tiltaxis C -45 is half perpendicular to tilt axis. C AX,AY,BX,BY coordinates in grid units of 1,0 & 0,1 spots C respectively. C IH, IK indices of individual spots required. C X, Y coordinates of individual spots required. C C******************************************************************************* C