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(////,a/a)(A2,A2,A2)(///,a)(/,a)(/,a,/,a,/,a)(/,a,a)(//,a)(/,a,a,/,a,a)(A,2F10.5)(/,A,I8,a,/)(/,A,/,10X,F8.2/)(/,A,/,10X,I8,/)(/,A,/,10X,3I4,/)(/,A,4F10.3,/)(A,/,A)(A,I3)(2(/,A26,10X,6F8.2,/))(//,6F10.3)(/,A,/,10X,6F8.2,/)(/)(3I5,2F10.2)(A,3I4,/,A,3I4,I7,2F12.2) (a,I8,/,1X,3i4,5x,2f12.2,13x,2f12.2) (a,I8,/,1X,11F9.0) (a,I8,/,1X,3i4,2x,2F5.0,5x,3F12.2)(a)(a,i4,a)(//)(' *** Bad input format on record ',I8)$Date: 2000/10/31 14:53:05 $ROTAPREP ********* PROGRAM TO PREPARE MULTI RECORD SORTMTZ/SCALA/AGROVATA INPUT FILE ********* YOU WILL NEED TO RUN SORTMTZ OR CAD AFTERWARDSROTAPREP is now unsupported. Use COMBAT. (A1)0unknown Optional input follows. CELL followed by 6 real numbers (Compulsory if not DENZO or MTZ input) LABIN followed by column assignments I or F=.. SIGF=.. Compulsory if MTZI or MTZF input. TITLE followed by title SCALE followed by scale factor for FSQ of input file MONITOR followed by an integer nmon. Every nmon-th reflection monitored RESOlution followed by 2 real numbers resmin resmax (As or 4s**2/l**2) REINDEX followed by new index system eg: k,h,-l h-k,h+k,l etc: ADDBatch followed by 1 integer to be added to batch numbers MISBATCH followed by the batch numbers that are missing. PHIRANGE followed by 1 number: Number of divisions within each block "Batch number" will equal no_of_divisions*(header_batch-1) +counter + addbatch REJECT followed by 3 numbers: These give indices h k l AFTER conversion to asymmetric unit of reflections to reject. FORMAT followed by user-defined format (using real numbers). LABEL followed by column labels in the order in which they appear in the file.TITLLABIRESO Resolution limits: SMIN SMAXCELLPNAMDNAMPHIR Each "batch" divided into ranges for scaling MONI Every th reflection listedREIN *** Illegal REINDEX command ****** YOU ARE CHANGING YOUR HAND! Reverse all signs in AMAT.SCAL Output fsq scaled by BATC Output "first batch number"ADDB Input batch number advanced by MISB *** WARNING: MISBAT can only be used once *** *** Limit on missing batches reached; change MREJBAT ***REJE Reject reflections with indices: DETE**** Illegal DETECTOR command **** Detector coordinate limits: INPUSCAL_NMSCNMSCAL_NM2SCN2WEISTEXSTEXHMTZMUIMUFXDSUXDSFDATRJIMSRAXIDENZSAINUSERBad INPUT type: MTZFFORM FORMAT must have one string argument FORMAT format string too longiI *** Format contains an "I". *** Beware you cannot use I format.LABENumber of columns to be read in: Too many labelsHKLMBATCHSIGIFSIGFIPRSIGIPRFRACTION H K or L label not given. F/SIGF or I/SIGI labels not given.SYMMEND Unrecognised keywordWEISS *** You must set BATCH *** ** You must use LABEL keyword with USER inputHKLOUTfrom From rotavataprep run on HKLIN No input file???????Disagreement between symmetry operators MTZ cell WARNING: cell changed to READONLYHKLIN DU Scalepack cell Scalepack cell Denzo cell You MUST give your CELL dimensionsYou must specify the SYMMETRY PROJECTNAME not assigned Output file has Hs Ks Ls M/ISYM BATCH I SIGI .. Negative FPART??NPHISTP<1 Rejected - converted indices: Input indices, "batch" I SIGI:NREF DATA IN - h k l fsq sigfsq fplus fneg Negative SIGMAS - please check data processing NREF IDATA OUT Number processed may include hkls and -h -k -ls **** Only one batch allowed for SAINT output **** *** More than one batch from SAINT ***KEEPNo reflexions passed ****** YOU HAVE NEGATIVE SIGMAS!!! - Do something! **** Negative sigmasNormal terminationCheck your data!(A)(6X,I6)(a,i6)HEADER No record beginning HEADER??Rotaprep batch *** Illegal Koption in HDRRD *** First cell Current cell Disagreement between batch cell dimensions(a,3(/,3f10.5))(a,3(/3f10.5)) amrc Denzo Real cell Denzo Reciprocal cellTAS.LE.0. in UMATCL Denzo aorien matrix: Denzo aorien**-1 matrix: Determinant Denzo umat matrix: Denzo umat**-1 matrix: Mosflm B matrix: Mosflm B**-1 matrix: Mosflm umat matrix: Mosflm umat**-1 matrix:(A,3I4,A)ASUPUT: can't put reflection into asymmetric unitCURWIN Reciprocal space symmetryPG[-1] hkl:l>=0 hk0:h>=0 0k0:k>=0[2/m] hkl:k>=0, l>=0 hk0:h>=0[2/m] hkl:k>=0, l>=0 h0l:h>=0[mmm] hkl:h>=0, k>=0, l>=0[4/m] hkl:h>=0, l>=0 with k>=0 if h=0 and k>0 if h>0[4/mmm] hkl:h>=0, k>=0, l>=0 and h>=k[-3] hkl:h>=0, k>0 00l:l>0[312] hkl:h>=0, k>=0 with k<=h for all l. If h = 0 l>=0[321] hkl:h>=0, k>=0 with k<=h for all l. If h = k l>=0[6/m] hkl:h>=0, k>=0, l>=0 with k>=0 if h=0, and k> 0 if h>0[6/mmm] hkl:h>=0, k>=0, l>=0 with h>=k[m3] hkl:h>=0, k>=0, l>=0 with l>=h, k>=h if l=h, k> h if l>h[m3m] hkl:h>=0, k>=0, l>=0 with k>=l, and l>=h **** Illegal Laue group : ASUSET: Fatal errorAsymmetric unit: CCPDPN: illegal status : CCPDPN: illegal type: Message number 00000000Last system error message:: WARNING: $TEXT:Warning: $$ comment $$ $$('CCP4 software suite: library version ', A)('CCP4 software suite: patch level ', A)('Program: ', A)NOHTMLNOSUMMUse: -d filenameUse: -e filename; version Ignoring switch CINCLCINCL:environ path name too longSYS$LOGINHOMESYS$LOGIN:Opening file #!Too many logical names in environ file: =Missing = in environ file: .Bad extension in environ file: default.def path name too longMissing = in defaults file: Processing Command Line ArgumentsUse: ...End of pre-processing stageError reading environ or default file$Date: / /1920(A,I4) Illegal number in field Real number expected at end of line(' ERROR with label assignments ',A,' and ',A)(' Neither ',A,' nor ',A,' recognised')(' OR maybe ',A,' has been assigned twice ')ERRWIN Error this program has no PROGRAM LABELS **** Warning no argument given for LABIN ERROR Program label assigned twiceInput column assignment does not match program labels **** Error !!!! for LABIN **** **** NOT ENOUGH ARGUMENT PAIRS of type Prog_label = User_label(A,I3,A,1X,I1,1X,A)(10A)(15I5)From LRASSN : Index is out of range (allowed 1..)From LRASSN : User input label does not match any file labelFrom LRASSN : Program Label was not assigned* Input Program Labels :* Input File Labels :* Lookup Table : the number indicates the input column no.* Array element n corresponds to the nth program labelFrom LRASSN : Column type for program label does not match - file label is Error in label assignmentsFrom LRCELL : IndexFrom LRCLID : IndexFrom LRCLOS : Index(A,A,I3,A)(A,I6)(A,A)(A,I4,A,A,A,A,A)(A,I4,A,I4)(A,I4,A,A,I4,A)(A,I3,A,A,I3,A)(A,I4,A,I4,A)(I3)From LROPEN : IndexFrom LROPEN : Wrong index in call, files already open for read AND write on index pretty seriousFrom LROPEN : Wrong index in call, file already open for read on index all header info will be lost write on index output header may be corruptedRO WARNING: no architecture information in file -- assuming native. ? From LROPEN : Error reading 1st record of MTZ file From LROPEN : File is not an MTZ fileHEADER INFORMATION FROM INPUT MTZ FILE ON INDEXVERSMTZ:V1.1 MTZ version of file incompatible with this version of the softwareMTZ file, Version Stamp NCOL From LROPEN : too many batches in file, maximum isSORTSYMIFrom LROPEN : Unrecognised Lattice type in header, set to PFrom LROPEN : An error occured reading symmetry from header, No symmetry information storedVALMCOLUFrom LROPEN : Column Label has unrecognised type () - set to RNDIFPROJCRYSDATADCELDWAVFrom LROPEN : Batch information in MTZ header inconsistentFrom LROPEN : Illegal keyword in MTZ header - line ignoredFrom LROPEN : Header indicates columns, but minimum allowed columns in MTZ file is columns, but there were column labels in header datasets, but PROJECT records in header symmetry ops, but ops were present in header batches, but serial numbers presentMTZHISTMTZBATSMTZENDOFHEADERSFrom LROPEN : Unrecognised line in MTZ file header - file may be corrupt, continuing ...From LROPEN : MTZ header indicates that file is standard MTZ but there are batch headers present - ignoring them Changing "rhombhedral" to "hexagonal" Changing "hexagonal" to "rhombhedral"(2A,3I4,2A,F10.6)From LRREFF : IndexFrom LRREFF : There is no file open for read on indexFrom LRREFF : Error reading file - only words transferred, wantedFrom LRREFF : S value outside range from header, reflection S =Corrupt MTZ file?From LRREFM: IndexFrom LRREFM : There is no file open for read on indexFrom LRSORT : IndexFrom LRSYMI : IndexFrom LRSYMM : Index(A,A,I2,A)(A,A,A,I5)(A,I8,A,I8)From LWBAT : IndexFrom LWBAT : File open on Index is NOT a multi-record fileFrom LWBAT : Attempt made to output 2 batches with the same serial number to file : batch serial number is : From LWBAT: too many batches, maximum is From LWBAT : NWORDS = is greater than buffer length From LWBSETID : Index Failed to set dataset ID in batch header.From LWBSETID : no batches present to write to!(A,A,A)From LWCELL : IndexFrom LWCELL : You are changing the cell after you havewritten reflections to file - resolution limits will be wrong(A,A,I4)(A,1X,A,I3,A,I3,A,1X,A)(A,I4,A)From LWCLAB : IndexFrom LWCLAB : Not enough output columns - minimum allowed isFrom LWCLAB : Too many output columns - maximum allowed isFrom LWCLAB : Duplicate column labels in output file,columns and both have the labelFrom LWCLAB : Unrecognised output column type, column, set to R(A4,1X,I8,1X,I12,1X,I8)(A4,1X,6F10.4)(A4,1X,5I4)(A6,1X,2I3,1X,A1,1X,I5,1X,A,1X,A)(A4,1X,2F12.5)(A4,1X,A4)(A4,1X,F18.5)(A6,1X,A,1X,A,1X,2F17.4,1X,I4)(A6,1X,A,1X,A,1X,2F17.4)(A4,1X,I8)(A7,1X,I7,1X,A)(A5,3X,I7,1X,6F10.4)(A6,2X,I7,1X,F10.5)(A5,1X,12I6)(A7,1X,I3)(A7)(A15)From LWCLOS : IndexVERS MTZ:V1.1 TITLE SYMINFSYMM NANCOLUMNNDIFFRNPROJECTCRYSTALDATASETDCELLDWAVELEND MTZ HEADER INFORMATION FOR OUTPUT MTZ FILE ON INDEX(A,I2,A,I2,A)From LWHIST : IndexFrom LWHIST : too many history lines ( lines written(A,I2,A)From LWOPEN : IndexFrom LWOPEN : File already open for write on index - disaster!NEWFrom LWREFL : IndexFrom LWREFL : There is no file open for write on indexFrom LWSORT : IndexFrom LWSYMM : Index***Warning : You are changing your symmetry operations from :***To :From LWSYMM : Unrecognised lattice type input ... value ignored(A,I3,A)From LWTITL : IndexFrom LWTITL : New title is too long, truncated to charsFrom LWTITL : Title is too long, truncated to(A,I5,A/1X,A) *** WARNING - More than characters in (continued) line *** *** Parsing truncated line beginning with:CommentHLPWIN Can't open file DataResolution missing No symmetry data !!!Warning: symmetry already givenWarning: R switched to H(1X,A)(A,I4,2F6.1,4(/,4F10.3)) NSYM REAL RECIP ROT**SYMMETRY OPERATOR ERROR***** Warning*** Error*** Program Terminated *** Unrecognised errorProgram continuing ...(1X,A,I3,A,I3)(A,4X,I4)(A,4X)(A,4X,I3)(4(2X,F8.3))(I4,A) Reciprocal space symmetry operator same as PG23PG432PG422PG321PG622PG312PG222PG2APG2PG1PG2CPG3PG4PG6 Number of primitive symmetry operators Number of symmetry operators The point group for these symmetry operators is Resorted symmetry( all primitives first) **** ICENTR gives axis of centering ***** No centering (P spacegroups) Centering around a-axis (A spacegroups) Centering around b-axis (B spacegroups) Centering around c-axis (C spacegroups) Centering on all faces (F spacegroups) Body centering (I spacegroups) Rhombohedral centering (R spacegroups with hexagonal axes) (NOTE: R-spacegroups with rhombohedral axes have ICENTR = 0 !) **** Screw axes are: ***** fold screw axis along A fold screw axis along B fold screw axis along C *** KLASS: a crystal class name used in MDF files *** TRICLINIC 1_BAR (PG1) sgs 1 MONOCLINIC I 2/M (PG2) B-UNIQUE sgs 3 - 5 ORTHORHOMBIC MMM (PG222) sgs 16 - 24 TETRAGONAL I 4/M (PG4) sgs 75 - 80 TETRAGONAL II 4/MMM (PG422) sgs 89 - 98 TRIGONAL I 3_BAR (PG3)HEXAGONAL AXES sgs 143-146 TRIGONAL II 3_BAR (??) RHOMBOHEDRAL AXES sgs 146 TRIGONAL III 3_BAR1M (PG312) sgs 149,151,153 TRIGONAL IV 3_BARM1 (PG321)HEXAGONAL AXES sgs 150,152,154,155 TRIGONAL V 3_BARM1 (??)RHOMBOHEDRAL AXES sgs 155 HEXAGONAL I 6/M (PG6) sgs 168 - 173 HEXAGONAL II 6/MMM (PG622) sgs 177 - 182 CUBIC I M3_BAR (PG23) sgs 195 - 199 CUBIC II M3_BARM (PG432) sgs 207 - 214 MONOCLINIC II 2/M (PG2c) C UNIQUE sgs 3 - 5 MONOCLINIC III 2/M (PG2a) A UNIQUE sgs 3 - 523M3BARm3bar4324BAR3MM3BARMm3barm4224/MMM4MM4BAR2M4BARM24/mmm321323M13BARM13BARM3M3barm6226MM6BAR2M6BARM26/MMM6/mmm31231M3BAR1M3bar1m222MMMMM22MMM2Mmmm2C22/M2/m11BAR-133BAR-344/M4BAR4/m66/M6BARPGNLAU: point group name not recognised.Original indices for reflection hkl with symmetry number ISYM Bijvoet positive Bijvoet negativeISYM ISYM-+CCPNUN: Can't find an unused unit(' **CCPOPN ERROR** Invalid parameters in call',/)**CCPOPN ERROR** Invalid parameters in callPRINTERTERMCCP4_OPENUNKNOWNNL:nl:/dev/nullUNFORMATTEDFORMATTEDSEQUENTIALDIRECTDELETEWORDSFORTRANLISTSCRATCHCCPOPN Logical name has no associated file name Open failed: File: Logical name: , Filename: ERROR in s/r GETELAPSED calling ETIME(1X, A)()UGERR4.2.24.2CBINCHTMLCCP_PROGRAM_IDCCP_SUPPRESS_HTMLCCP_SUPPRESS_SUMMARY(Z8.8)(I5.5)Non standard logical name Too many logical namesundeflibprtbesdicCLIBDCLIBD:CLIBD not defined/.scrscrCCP4_SCRCCP4_SCR:CCP4_SCR not definedinCannot find file Cannot create environment variable Cannot create logical name CUNLINK: Can't unlinkCCPALC: can't allocate memoryFrom LRID : Index(I8,1X,A,' / ',A)(9X,A)(9X,6F10.4)(9X,F10.5)(A,I7)(A,F18.2,A)(200I4)(A,1X,A,2X,2I19,1X,I8)(A,1X,A,2X,2I19)(A,1X,A,2X,2F19.4,1X,I8)(A,1X,A,2X,2F19.4)(6F10.4)(2F12.5,6X,A,F9.3,A,F9.3,A)(5I6)(A,I4,6X,A)(A,A,A,I5,A)From LHPRT : Index* Title:* Number of Datasets =* Dataset ID, project/crystal name, dataset name, cell dimensions, wavelength:* Number of Columns =* Number of Reflections =* Missing value set to NaN in input mtz file* Missing value set to in input mtz file* Missing value set to NaN in output mtz file in output mtz file* Number of Batches =* Column Labels :* Column Types :* Associated datasets :* Column Labels, Types, Ranges [and Dataset IDs] :* Cell Dimensions :* Resolution Range :( - A )* Sort Order :* There is no sort order recorded in the MTZ header* Number of Symmetry Operations = * Number of Primitive Operations = * Space Group =* Lattice Type = * Point Group Name = * Symmetry Operations :* Space group = (number (A,I2)From LRHDRL : Error reading header record from MTZ file, want 80 bytes, got Bad attribute in QOPEN: (4I8)RBATHD error: Error reading batch header record from MTZ file, only words read **Symmetry Operator ERROR** **Invalid Character... ** **Blank Operator Field****Symmetry Operator ERROR****No Operator****Last General Position is INCOMPLETE**From LRBSETID : IndexFrom LRBSETID : no batches present to read!From SET_MAGIC : Index(A,I3,5X,A)(4F6.2)SYMTR3: character array too short(I1,A1)(1X,A1), Symmetry(A,4I8)BH BHCH From LWID : Index ***** WARNING - MORE THAN ITEMS IN THIS LINE - IGNORING THE REST****(1X,A,A,A)(A,I5)(A,A,I5,A)(A,A,A,A)SYMOP 1MSYMLB3: the supplied spacegroup name "" is an integerMSYMLB3: resetting spacegroup number to MSYMLB3: Error in format of SYMOP file: PABCRCUHEMSYMLB3: Problem with sym op - determinant ne -+1 space group number in SYMOP fileMSYMLB3: Spacegroup returned as zero - the supplied spacegroup name was not found in the SYMOP file Symm operators and have a problem.MSYMLB3: No symmetry information for space group numberMSYMLB3: Symmetry operators are not a closed group Something wrong for space group numberBYTESLOGNAME;w+r+rMemory allocation failedCCP4_USTENV: Memory allocation failedCCP4_QOPEN: can't open CCP4_QOPEN: error unlinking CCP4_QOPEN: fseek failed onNATIVEMTZCONVERT_FROMBEIEEELEIEEEVAXCONVEXNATIVECCP4_QRARCH: seek failed on CCP4_QRARCH: can't read machine stamp in CCP4_QWARCH: seek failed on CCP4_QWARCH: can't write machine stamp to CCP4_QCLOSE: qopen not yet calledCCP4_QCLOSE: failed on CCP4_QMODE: qopen not yet calledCCP4_QMODE: bad modeCCP4_QREAD: qopen not yet calledCCP4_QREAD: seek error on file CCP4_QREAD: i/o error on CCP4_QREAD: bad file real type in conversionCCP4_QREAD: bad file integer type in conversionCCP4_QREAD: bad native real type in conversionCCP4_QREAD: Bad modeCCP4_QREADC: qopen not yet calledCCP4_QREADC: seek error on file CCP4_QREAD:C i/o error on CCP4_QWRITE: qopen not yet calledCCP4_QWRITE: seek failed on CCP4_QWRITE: i/o error (may be out of disc space): CCP4_QWRITC: qopen not yet calledCCP4_QWRITC: seek failed onCCP4_QWRITC: i/o error (may be out of disc space): CCP4_QSEEK: qopen not yet calledCCP4_QSEEK failed -- maybe corrupt file: CCP4_REWIND: qopen not yet calledCCP4_REWIND failed -- maybe corrupt file: CCP4_QBACK: qopen not yet calledCCP4_QBACK failed on CCP4_QSKIP: qopen not yet calledCCP4_QSKIP failed on CCP4_QINQ: qopen not yet calledCCP4_QINQ: seek failed on CCP4_QLOCATE: qopen not yet calledCCP4_ISNAN: bad nativeFT%oFailure in ccp4mallocFailure in ccp4reallocFailure in ccp4callocFrom LPHIST : Index* There is no History information in this MTZ file* HISTORY for current MTZ file : (1X,A,I2)(1X,A,I2,A,A) (Q)QOPEN: bad mode: diskio.dft(Q)QOPEN status changed from NEW to UNKNOWN for (Q)QOPEN NEW file already exists: (Q)QOPEN failed - no streams left(Q)QOPEN Logical name (Q)QOPEN failed - File name: (Q)QOPEN: file opened on unit Status: Logical Name: Filename: Floating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtdo_usdo_udstartioduecdueread startwrite startsyserrsfeendfilestartintinwriterecendbad repetition countinvalid integerexponent fielde%ldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalno spaceundelimited character stringlist iostlerliolist inlist output starts_catNOYESZERONULLr+wwmalloc failureopenfort.%ldsdfuSTOP statement executed getenv_nmLbuf overflownon-positive record numbercan't append to file'new' file existscan't write filecan't read filesubscript out of boundssubstring out of boundsinvalid array sectionsubscript for scalar variablevariable count incorrectno end recordvariable not in namelistbad namelist namebad variable typebad logical input fieldread unexpected characterout of free spaceincomprehensible list inputtruncation failed in endfileoff end of recordunit not connectedcan't stat filenull file namecan't backspace filesequential io not alloweddirect io not allowedunformatted io not allowedformatted io not allowedillegal unit numbererror in format%s: illegal error number %d %s: end of file %s: %s apparent state: unit %d named %s (unnamed) apparent state: internal I/O last format: %s externalinternalformattedunformattedsequentialdirectreadingwritinglately %s %s %s %s IO%s 0123456789ABCDEFrd_ed, unexpected code: %d rd_ned, unexpected code: %d left offw_ed, unexpected code: %d w_ned, unexpected code: %d %.9Gunknown type in liomalloc(%u) failure in %s %#.*E%+.2d+00%#.*fo:??75?8C'7yD #<=.eB6<BB`B 3 A@@L>@AB@?@z?% ܥL@MbP?s*>? _š?$@Gjt::9 HHHYBJQJQRRRR *  H K L I SIGI F SIGF HHHJQFQ H K L M/ISYM BATCH I SIGI IPR SIGIPR FRACTIONCALC XDET YDET ROT (//, Compulsory input is INPUT and SYMMETRY,//, INPUT IS followed by WEISS USER TEXSAN MTZI MTZF , MUI MUF XDSUNIQUE,/, XDSFULL SCALEPACK DATRED_RIGAKU SCAL_NM SCAL_NM2 JIMS SAINT ,or DENZO:,/, WEISS - output from WEISS film processing,/, USER - user format defined with FORMAT and LABEL,/, TEXSAN - output from Texsan diffractometer program, (ccp4.dat),/, TEXHKL - output from Texsan diffractometer program, (hkl.dat),/, MTZI - MTZ file containing H K L I SIGI ,/, MTZF - MTZ file containing H K L F SIGF ,/, MUF - output from xentronics - amplitudes please,/, MUI - output from xentronics - intensities please,/, XDSUNIQUE - output from xentronics to UNIQUE.HKL ,/, XDSFULL - output from xentronics to XDS.HKL ,/, SCALEPACK - output from SCALEPACK ,/, DATRED_RIGAKU - output from DATRED_RIGAKU ,/, RAXISDUMP - output from Raxis READBF of mergefile ,/, SCAL_NM - output from SCALEPACK no merge option,/, SCAL_NM2- output from SCALEPACK_NOMERGE_Original-indices ,/, JIMS - MADNES for050 files (better to use ABSURD),/, SAINT - single output files of SAINTO.,/, DENZO - Concatanated output files of DENZO.,/, These contain HEADER blocks and reflection data.)(/, SYMMetry NSPGroup or SPACegroup (number or symbol),/, are compulsory if not MTZ input,//, BATCH followed by, "batch" number (compulsory except for DENZO, SCAL_NM, USER, if batch input,,/, and overrides IDENT for WEISS, TEXSAN),//, END - last card.,//)(///, CONVERSION MATRIX,3(/,5x,3f10.4))(5x,4i4,2f8.2,i10)( First reflection :,/,5x,4i4,2f8.2,i10)( First reflection :,/,5x,200f8.2)(3i4,i3,5x,f8.1,f7.1)(3x,3i4,2f10.2,29x,f7.4)( First reflection of TEXSAN - hkl.dat:,/,5x,3i4,2f8.2,5x,f7.4)(3i4,1x,f6.4,6(1x,f8.2),1x,i2)( First reflection :,/,3i4,1x,f6.4,6(1x,f8.2),1x,i2)(3i5,4e12.4)( First reflection of XDSUNIQUE:,/,3i5,4e12.4)( XDS FULL input from XDS.HKL,3i4,3x,3i4,2x,i4,3x,2i4,2f12.2,f7.4,/,7i6,/,2(5x,3f8.4))(3i4,4f8.0)( First reflection of SCALEPACK:,/,5x,3i4,4f8.1)( First reflection of DATRED:,/,5x,3i4,2f8.1)(21x,i4,4x,3i4,8x,2f10.3,i4)( First reflection of RAXISD:,/,5x,3i4,2f8.1)(4i4,i3,2f8.0,f7.4)( First reflection of SCAL_NM:,/,5x,4i4,i3,2f8.1)(3i4,12x,i6,7x,2f8.0)( First reflection of SCAL_NM2:,/,5x,3i4,i6,2f8.1)( Negative Sigma:,4i4,i3,2f8.0,f7.4)(3i4,2x,2f8.0,7x,f6.0,6x,2f7.0,14x,f6.0,f6.0)( Negative Sigma:,i4,2x,3i4,2f10.1,f9.1,6x,2f7.1,4x,f6.3,f6.1)(3i4,2f8.3,i4,51x,2f7.2,55x,f7.2)( Negative Sigma:,i4,2x,3i4,f10.1,f9.1,6x,2f7.1,4x,f6.1)( First reflection form MTZ file: ,3i5,f10.3,f8.3)( First reflection of JIMS input: ,3i5,f10.3,f8.3)( END OF INPUT FILE ,//, NUMBER OF REFL. READ : ,i6, - PROCESSED : ,i6, - PARTIALS,i6)(//, HIGHEST I or SIGI before scaling: ,3i4,f12.1)( **** WARNING **** WARNING **** WARNING ****)(//,5x, Range of detector coordinates is outside DETECTOR limits,//,5x, Range found:,4f10.3,/,5x, Limits set :,4f10.3,/)HH I I@I@I@I`I`II I`I`III I IIII J J J J@J`JJJJJJK KJIK`` z  z  !@!s!!!"@"s!"" #`##@K#`KKKK $$ L@L`L$$$ %$$$`LL?PHI (a80)(/////,1x,a80)(3f15.0,3f10.0)(1x,3f15.8,5x,3f10.6)(4f12.0)(4f10.0,6i2)@e>`eP,, --0-9-@?ePfffffffffAhd( Space group: ,a, (,i3,),5x,Point group: ,a,5x,Laue group: ,a)(1x,a,i6) B/d B 0d(i2,/,i2,/,i2)UNKNOWN SCRATCH OLD NEW READONLYPRINTER F U DFDU  environ.def default.def (a)`Em@e`En@e`E`n@e22abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZYsdZs@cs@cs@ct eu evg v evhuju luHJFDQPWABYIRGKLMPABCIFRH?uxxx Jy@e y@y@e@e`yyyyyHyH y yuJ`y`uJ@uuu754<@?uy` u` @e u @HJFDQPWABYIRGKLM@u@@s@ @@`u` `@``````` `@``````````` `@@JPu(From ,a,, ,a, ,a)Phkl( ,a)EEEUNKNOWNUNKNOWNOLD NEW OLD UNKNOWN( Open failed: Unit:,i4,, File: ,a, (logical: ,a,))( **CCPOPN ERROR** ,a,3x,a, file open failure on unit ,i3,/ Logical name: ,a,, ,File name: ,a/1x,a/)(a,3x,a, file opened on unit ,i3)EF AF()F()G()()`GG()()GH (/,/,/,/,1##########################################################,#####,/, ##########################################################,#####,/, ##########################################################,#####,/, ### CCP4 ,a3,: ,a17,2x,version ,a,: ,a8,##,/, ##########################################################,#####,/, User: ,a, Run date: ,a8, Run time:,a,/,/,/, Please reference: Collaborative Computational Project,, Number 4. 1994.,/, "The CCP4 Suite: Programs for Protein, Crystallography". Acta Cryst. D50, 760-763.,/,/, as well as any specific reference in the program write-up.,/,/)H( Times: User: ,f9.1,s System: ,f6.1,s Elapsed:,i5,:,i2.2)@e@K( ,a,: ,a)K  F F@@KuMus  y `    s  @e  @e  s   @ `      J J   @ @PM@d  1234567890 u @euXYZ123456789 @P(i2,2(:,i2.2))u$@'" #!0123456789+-*/E.e  =, @? @@e@ey```(
)UabcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ$Id: library.c,v 1.62 2002/06/14 12:31:51 ccb Exp $```uUNKNOWN   SCRATCH   OLD       NEW       READONLY  ``~~ ~H~~p~xx"!#namelist inputrealloc failureH8Ĵ8``@ `@ `@ `@ 0123456789ABCDEFAAAABB8BRBlBBBBBBC"C\j@\rB\zD\F\H\L\P\T\X\\\^\d\h\\\] ]@`
`cdclc(pc1tc:cCcLcUc^cgcpcyccccccccdd dxf|ffffff)f3f=fGfQf[fefofyfij @DHLlpt&1<GR]hs~ $8<@DHLP(T4`@dLhXldpp|@`dhltx|$ 0@<DHHTL`Pl`x"""%%&88< <x>|>>%)%6%C%P%]&j&w0&D&X&l&&&&&&&& '  '  4'- H': \'H p'V 'd 'r ' ' ' ' ' ( $( 8( L( `( t(!(!((!(6!(D!(R!(`!)n!)|!()!<)!P)!d)!x)!)!)!)!)!)")"*$"*2",*@"@*N"T*\"h*j"|*x"*"*"*"*"*"*"+"+"0+"D+#X+#l+ #+.#+<#+J#+X#+f#+t#+#,# ,#4,#H,#\,#p,#,#,#,$,$,$,%$,1$,?$,M$
-[$-i$0-w$9-$>$>$>$>$>$>$>$>$>$>$0?$4?$8?$&@G& @Q&`@[&@e&@o&@z&@&@&A&$A&,.&@.&T.&h.&|.&.&.
'.'.&'.4'.B'/P'/^'0/l'D/z'X/'(A',A'0A'4A'8A'3X8D3\8J3`8S3d8[3f3o3x3330
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