Estimates defocus values from power spectra

; Estimates defocus values from power spectra ; ; SOURCE: spider/docs/techs/recon1/Procs/ctffind.spi ; Pixel size bug and total rewrite Sept 2010 ArDean Leith ; Rewrite from mrcctf.spi May 2012 ArDean Leith ; Added 'RO SD R' Nov 2013 ArDean Leith ; ; PURPOSE: Get defocus using SPIDER operation: 'CTF FIND'. Create 1D CTF correction ; image and CTF document file. ; ; REQUIRES: load-mic.spi to load micrographs ; ; INPUTS: Micrographs (in SPIDER format) ; SPIDER Parameter doc file ; Selection doc file containing micrograph numbers ; Boundary for windowing edges of micrographs ; Parameters for 'CTF FIND', including ; - CS (mm) : Spherical aberration of objective ; - HT (kv) : Electron beam voltage ; - AmpCnst : Amplitude contrast ratio ; - MAG : Magnification on original image ; - DStep (microns): Pixel size on scanner (microns) ; - Box (pixels) : Tile size in ctffind (must be even) ; - minRes (A) : Low resolution end of data to be fitted ; - maxRes (A) : High resolution end of data to be fitted ; - minDef (A) : Starting defocus value for grid search ; - maxDef (A) : End defocus value for grid search ; - dStep (A) : Step width for grid search ; ; OUTPUTS: Doc file of defocus and astigmatism information. ; Power spectrum from 'CTF FIND' (in SPIDER format). ; ; USAGE: clean ; spider spi/dat @ctffind ; --------------------- Albany Standard Parameters --------------------------------- [nproc] = 0 ; Number of processors to use (0==all) ; Exclude edges of the micrograph [xb] = 500 ; X distance from border [yb] = 500 ; Y distance from border [box] = 500 ; Box size for CTFFIND3 (must be even) [minRes] = 35 ; minRes (A) [maxRes] = 7.5 ; maxRes (A) [minDef] = 10000 ; minDef (A) [maxDef] = 40000 ; maxDef (A) [dStep] = 5000 ; dStep (A) ; ----------- Input files --------------- [params] = '../params' ; Reconstruction parameters file (one) [raw] = '../Micrographs/raw****' ; Micrographs (one or more) [sel_mic] = '../sel_micrograph' ; Micrograph selection file (one) ; ----------- Output files -------------- [outdir] = 'power' ; Dir. for output files (one) [ps-diag] = '[outdir]/diag_pw_avg_****' ; Diagnostic power spectrum file (one/micrograph) [ps-spi] = '[outdir]/pw_avg_****' ; Power spectrum file (one/micrograph) [roo] = '[outdir]/roo_****' ; Rotational average file (one/micrograph) [rod] = '[outdir]/roo_doc_****' ; Rotational average doc file (one/micrograph) [defocus] = 'defocus' ; Summary defocus doc file (one) ; -------------------- END BATCH HEADER ----------------------- ; Temporary files [spi] = '_1' ; SPIDER temp files from conversion [win-spi] = 'jnk-win-spi' ; Windowed temp files MD ; Skip unnecessary output VB OFF MD ; Skip unnecessary output TR OFF MD SET MP ; Use user-defined number of processors [nproc] SYS ; Create output directory mkdir -p [outdir] ; Parameters for loading UD 1,[sp_zflag] ; Get zip flag [params] ; Params file (input) UD 2,[sp_fflag] ; Get tif flag [params] ; Params file (input) UD 3,[sp_nx] ; Get X dimension [params] ; Params file (input) UD 4,[sp_ny] ; Get Y dimension [params] ; Params file (input) ; Parameters for CTFFIND3 UD 6,[sp_kev] ; Electron beam voltage (kV) [params] ; Params file (input) UD 7,[sp_sph_abb] ; Spherical aberration [params] ; Params file (input) UD 12,[sp_acr] ; Amplitude contrast ratio [params] ; Params file (input) UD 19,[sp_mag] ; Magnification of original image (final mag on F30) [params] ; Params file (input) UD 20,[sp_scanres] ; Scanning resolution (microns) = Pixel size on scanner [params] ; Params file (input) [deci] = 1 ; No decimation [keepspi] = 0 ; Do not keep temp Spider file [sp_sph_abb] [sp_kev] [sp_acr] [sp_mag] [sp_scanres] DE ; Delete output summary doc file [defocus] ; Doc file (removed) DO ; Loop over all files -------------------------------------------- UD NEXT [key],[mic] ; Get micrograph number from sel. file [sel_mic] ; [mic] is now the micrograph file number IF ( [key] <= 0 ) EXIT ; End of images in selection doc file ; Convert micrograph to SPIDER format (if necessary) @load-mic([mic],[sp_zflag],[sp_fflag],[deci],[sp_nx],[sp_ny],[keepspi]) [raw][mic] ; Micrograph (input) [spi] ; SPIDER file (output) _2 ; Scratch file (output) FI H [nxt],[nyt] ; Get decimated size [spi] ; SPIDER file (input) nx,ny ; Window the micrograph, removing borders [x] = [nxt] - (2*[xb]) ; Dimensions without border [y] = [nyt] - (2*[yb]) SYS echo " Micrograph: {%I5%[mic]} : {%I5%[nxt]} x {%I5%[nyt]} windowed to: {%I5%[x]} x {%I5%[y]}" WI ; Window [spi] ; Micrograph (input) [win-spi] ; Windowed micrograph (output) [x],[y] ; Dimensions [xb],[yb] ; Start coords FS ; CTF FIND3 needs min & max [win-spi] ; Windowed micrograph (output) MY FL ; Flush results file CTF FIND [def],[ang],[mag] [win-spi] ; Windowed micrograph (input) [ps-diag][mic] ; Diagnostic power spectrum (output) [ps-spi][mic] ; SPIDER power spectrum (output) [defocus] ; Summary defocus doc file (output) [mic] ; Micrograph number [sp_sph_abb],[sp_kev],[sp_acr] ; CS, voltage, & ACR [sp_mag],[sp_scanres],[box] ; Mag., pixel size, & box size [minRes],[maxRes] ; Lower and upper resolution [minDef],[maxDef],[dStep] ; Lower and upper defocus & step SYS echo " Defocus: {%F8.2%[def]} Astig:{%F8.2%[mag]} Angle:{%F8.2%[ang]}"; echo DE [rod][mic] ; PS rotational average doc file (removed) RO SD ; Rotational average [ps-spi][mic] ; 2D CTF file (input) [roo][mic] ; 1D rotational average (output) [rod][mic] ; PS rotational average doc file (output) ENDDO SYS ; Echo the defocus doc file to terminal echo ; cat [defocus].$DATEXT ; echo ' ' DE [spi] ; Temp SPIDER file (deleted) DE [win-spi] ; Windowed SPIDER micrograph (deleted) EN ; Modified 2013-11-28 ; 2013-11-28 (trs) -- made number of CPUs user-defined