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This must mean the column pair are inconsistent *** *** WARNING: this reflection has no FC *** Maximum WP MAXIMUM W2 ****WARNING!!! - YOU HAVE TOO FEW REFLECTIONS PER BIN **** Average number per bin is Recommended number is at least S/R DETSIG: CCDEN < 0.001: setting overall CC to 0.0 In CCTOT calculation: CCNUM = CCDEN = NTOT = SUM22T= SUM20T= SUM40T= SUM04T= ** The Overall Correlation has been set to zero ** ** You must check that the results of the sigmaA ** ** procedure are still reasonable in this case! **Convergence failure ***More than ISIZ Reflections Reset Parameter ISIZ **('1')(A)(A,F15.6)(A,/,A)(/,A,//) From plot of ln(SigmaA) vs sthol**2 : Least square line gradient = Uncertainty in gradient = x intercept = Uncertainty in intercept = ** PROBLEM!! B IS POSITIVE ** *** NOT POSSIBLE TO ESTIMATE COORDINATE ERROR .*** Rms coordinate error = UNCERTAINTY IN RMS ERROR SQUARED= $$Too many observations -- reset NDATA in code SFOUT -ref no - h k l Eo Ec Nshl Ic Epsi------------------------------------------------------------ CCPDPN: illegal status : CCPDPN: illegal type: Message number 00000000Last system error message:: WARNING: $TEXT:Warning: $$ 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,3I4,F8.1,A,F8.1)CENTR: CENTRIC not called firstCENTPHASE: CENTRIC not called firstCENTPHASE: This is not a centric reflection!CENTPHASE: There are no centric zones defined! Centric phase possibilities or CURWIN ****** EPSILON ZONES - Reflection Classes and their multiplicity ****** EPSLN: have to have at least one EPSILON ZONE(A,3I5) NO EPSILON ZONE found for reflection (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 Error this program has no OUPUT LABELS **** Warning no argument given for LABOUTFor This Program Default labels will be used if possibleOutput column assignment does not match program labels **** Error !!!! for LABOUT **** 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 LRCLAB : IndexFrom LRCLOS : Index(A,A,I3,A)(A,I3)(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 fileMTZ 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 TITLNCOL From LROPEN : too many batches in file, maximum isCELLSORTSYMIFrom LROPEN : Unrecognised Lattice type in header, set to PSYMMFrom LROPEN : An error occured reading symmetry from header, No symmetry information storedVALMCOLUFrom LROPEN : Column Label has unrecognised type () - set to RNDIFPROJCRYSDCELDWAVBATCFrom LROPEN : Batch information in MTZ header inconsistentENDFrom 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,A,F10.6)From LRREFL : IndexFrom LRREFL : There is no file open for read on indexFrom LRREFL : Error reading file - only words transferred, wantedFrom LRREFL : S value outside range from header, reflection S =Corrupt MTZ file?From LRREFM: IndexFrom LRREFM : There is no file open for read on index(A,I2)From LRREWD : IndexFrom LRREWD : There is no file open on indexFrom LRRSOL : IndexFrom LRSYMI : IndexFrom LRSYMM : Index(A,A,I4)(A,1X,A,I3,A,I3,A,1X,A)(A,I4,A)From LWASSN : IndexFrom LWASSN : Not enough output columns - minimum allowed isFrom LWASSN : Too many output columns - maximum allowed isFrom LWASSN : Column type for output program label file label is From LWASSN : Duplicate column labels in output file,columns and both have the labelFrom LWASSN : Unrecognised output column type, column, set to R* Output Program Labels :There were NO output program labels* Output File Labels :* Output File Column Types :(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 NANCOLUMNNDIFFRNPROJECTCRYSTALDATASETDCELLDWAVELBATCHEND MTZ HEADER INFORMATION FOR OUTPUT MTZ FILE ON INDEX(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 index(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 HCBINCHTMLCCP_PROGRAM_IDCCP_SUPPRESS_HTMLCCP_SUPPRESS_SUMMARYCCPNUN: Can't find an unused unit(' **CCPOPN ERROR** Invalid parameters in call',/)**CCPOPN ERROR** Invalid parameters in callTERMCCP4_OPENUNKNOWNNL:nl:/dev/nullUNFORMATTEDFORMATTEDSEQUENTIALDIRECTDELETEKEEPWORDSFORTRANLISTSCRATCHCCPOPN Logical name has no associated file name Open failed: File: Logical name: , Filename: ERROR in s/r GETELAPSED calling ETIME(1X, A)()UGERR4.2.24.2(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 *** Warning*** Error*** Program Terminated *** Unrecognised errorProgram continuing ...CUNLINK: Can't unlinkCCPALC: can't allocate memory(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 From LRHDRL : Error reading header record from MTZ file, want 80 bytes, got Bad attribute in QOPEN: (4I8)(A,A,I2,A)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****SYMMETRY OPERATOR ERROR**(A,A,I2,A,I8)From LRBRES : IndexFrom LRBRES : File open on index is NOT a multi-record file has no batch number 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 (A,I2,A,I2,A)From LWHIST : IndexFrom LWHIST : too many history lines ( lines written ***** 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: PABCIHRCUPGHEMSYMLB3: 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 number(1X,A)(A,I4,2F6.1,4(/,4F10.3)) NSYM REAL RECIP ROTUSERLOGNAMEBYTES;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: (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 - 5Floating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtbad repetition countinvalid integerexponent fielde%ldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalno spaceundelimited character stringlist iostlerliolist inread startstartiosfelist output starts_catwrite startendfilestartintinwriterecendNOYESZERONULLr+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 %.9Gunknown type in liomalloc(%u) failure in %s left offw_ed, unexpected code: %d w_ned, unexpected code: %d 0123456789ABCDEFrd_ed, unexpected code: %d rd_ned, unexpected code: %d %#.*E%+.2d+00%#.*f>?zD>O>]?lx?@75w??'7C4C A=@o:8 #;^<8<9<< :A;0YL?`?;D=->v?E@`@ ף<B3@AB@@L>??V@.@I@?:0yE>^@K@? @@@@MbP?@s*> _&{??$@BRa1 10 C A<?( SIGMAA Determination for Partial Structure,i2)`H K L FP SIGFP PHIBP WP HLA HLB HLC HLD FC PHIC FC1 PHIC1 FC2 PHIC2 FC3 PHIC3 PHIB2 W2 HLA2 HLB2 HLC2 HLD2 HHHFQPWAAAAFPFPFPFPPWAAAA DELFWT PHDELFWT FWT PHFWT WCMB PHCMB HLAC HLBC HLCC HLDC FPFPWPAAAA TITLRESOPARTCOMBSIGMSYMMRANGERROLABILABOEND (// Resolution limits in As ,2f10.2,/11x,as 4sinsq/,lsq ,2f10.5,/)(/ Calculation of Fourier coefficients from partial stru,cture,/)( Number of partial structures =,i3)( Combination of 2 experimental phase sets)(/ Phase combination and Fourier coefficients,/)(/, INPUT SIGMAA VALUES,/, BIN_NO PARTIAL STRUCTURE,/,7x,3(i5,5x))(i7,3f10.5)(/ Program prints lots of information about every nmon, th reflection - nmon = ,i6,/)( Option PARTIAL -- ,/, Map coefficients (a) difference map;Fo-DFc PHFo-DFc,/, (b) 2mFo-D*Fc PH2mFo-D*Fc,/, HKLOUT contains columns H K L S ... , MFODC 2MFODFC WCMB=(SimWt))( Option COMBINE with partial structure-- ,/, Phase combination of several sets of information:,/, Combined map coefficients ,/, Map coefficients (a) difference map;Fo-DFc PHFo-DFc,/, (b) 2mFo-D*Fc PH2mFo-D*Fc,/, HKLOUT contains columns H K L S ... , MFODC PHMFODC 2MFODFC PH2MFODFC WCMB PHCMB)( Option Combine two MIR sets-- ,/, HKLOUT contains columns H K L S ... , HLAC HLBC HLCC HLDC WCMB PHCMB)( SigmaA determination for ,i2, partial structure(s))(/ Data from sin(theta)/lambda of,f8.4, to,f8.4, divided into,i4, ranges)(/ Lattice multiplicity,i6)@::@D;@D@;;;< <<`=>@??DDD?@(///)(7x,i7,3x,3i3,4x,2f6.3,5x,f5.2,2f6.1,3x,2f10.5)( Calculation of Map Coefficients is COMPLETE)( Statistics on Phases and Figures of MERIT:)( ,/ Figure of Merit Histograms (all DATA),/ D L,imits,f4.1,10f5.1)(f7.2,--,f5.2,10i5)( Overall ,10i5)( ,/ Overall Figures of Merit,/ DATA N ,,/ CENTRIC ,i6,f10.5,/ NON-CENTRIC,i6,f10.5,/ TOTAL ,i6,f10.5)AAA B`BBBB* (SIN(TH)/L)**2 LN(SIGMAA) SIGMAA PLOT (///)(2i7,3x,3i3,4x,2f6.1,2i4,f4.0)(/ ****************************************************,/,/ Input SIGMAA values will be used, instead of the,/, following initial estimates from the data statistics,/ ****************************************************)( Initial Estimates for SIGMAA,/ N STHOL D Li,mits Sigman Sigmap <(EO*EC)**2> SIGMAA SIG_init)( Correlation between E**2'S is Non-Positive --, SIGMAA set to 0.05)(i6,f7.4,f6.2,--,f5.2,1p,2e11.4,0p,4f9.4,f12.5,2f9.4)( Overall Correlation on |E|**2 for,i6, Reflections ,is,f10.5)( Iteration Number,i3, on SIGMAA,/ , OLD NEW MEAN,/ D Limi,ts SIGMAA Shift SIGMAA W)( SIGMAA = ,f10.5, is > 1.0: reset to 0.9,99)(f7.2,--,f5.2,4f10.5)(/, Refinement of SIGMAA has not Converged -- using ,current values,/ Overall MEAN W is ,f10.5)(/, Refinement of SIGMAA has CONVERGED,/ Overall ,MEAN FOM is ,f10.5)( ,/ DATA for SIGMAA PLOT,/ STHOL**2 LN(SIGMAA))(2f10.6)( ln(SigmaA) vs sthol**2 should give straight line with,/ slope = -26.3189*(mean square coordinate error) ,and intercept = 0.5*ln(sigmap/sigman).,/ the firs,t and last few points usually deviate and are ignored.,/// fit lsq line through points and delete any which ,deviate ,/ by 2*average deviation,/ then refit li,ne. Expected coordinate error given.)( Shift Denominator is 0.0 for ,f6.2,--,f5.2,A data)eD I@ID`IIDE@FFIIF@GGH@HH IXIIK -0123456789@ |-1++E*(/, $TABLE: Estimation of rms coordinate error:,/, $GRAPHS,/, :ln(SigmaA) vs sthol**2 , :N:2,3:,/, $$ Bin sthol**2 ln(SigmaA) error iflag $$,/, $$,/)(i8,3f10.4,i4)(59(129a1,/),129a1) N@N`N`N`N`NN`N`N@MMNM(///)(7x,i7,3x,3i3,4x,2f6.3,2i4,f4.0)( Figure of Merit Statistics for Partial Structure,/ , Centric Data Non-Centric ALL Data,/ D Limits N N N )(f7.2,--,f5.2,3(i7,f8.4))( Overall ,3(i7,f8.4))( ,/ Figure of Merit Histograms (all DATA),/ D Li,mits ,f4.1,10f5.1)(f7.2,--,f5.2,10i5)( Overall ,10i5)(/, Weighted Fourier coefficients written to HKLOUT.,/)tOOOmPPPQ&Q@Q( ,/ Reflections with Combined Phase Information)( Centric DATA Mean Figures of MERIT,/41x,Partial Structures,/ D Limits N C,ombined MIR,3i10)(f7.2,--,f5.2,i6,5f10.4)( ,/ Non-Centric DATA,/ , Mean Figures of MERIT,/41x,Partial Struct,ures,/ D Limits N Combined MIR ,3i10)( Mean Variation of Information,/ Partial Structures,/ D Limits Combined MIR ,3i10)(f7.2,--,f5.2,5f10.4)( Mean Cosines of Differences from Combine,d PHASE,/ Partial Struct,ures,/ D Limits MIR,3i10)( Mean Partial Structure Weights,/ Partial Structures,/ D Limi,ts ,i8,2i10)`RR!S@S!STTTT`UT( ,/ Reflections with only MIR PHASES,/0 , Centric DATA Non-Centric,/ D Limits , N N )(f7.2,--,f5.2,2(i7,f8.4))VLW( Reflections with only Partial Structure PHASES)( Centric DATA Mean Figures of MERIT,/ Partial Structures,/ D Limits N Combined ,i6,2i8)(f7.2,--,f5.2,i7,4f8.4)( Non-Centric Mean Figures of MERIT,/ Partial Structures,/ D Limits N Combined ,i6,2i8)( Mean Variation of Information,/ Partial Structures,/ D Limits Combined,i8,2i10)(f7.2,--,f5.2,4f10.4)( Mean Cosines of Differences from Combine,d Phase,/ Partial Structures,/ D Limits ,i9,2i10)( Mean Partial Structure Weights,/ Partial Structures,/ D Li,mits ,i9,2i10)WWrXXrX@YYYY`ZY4<(For inline graphs use a Java browser) ](/,,a,)(/,,a,)(a)(/,/,a,/,a,/)(/,a,/)]]^^^( )^(
)^()()@_r_()()__UNKNOWN SCRATCH OLD     NEW     READONLYPRINTER F U DFDU	environ.def                                                                                                                                                                                             default.def                                                                                                                                                                                             (a)}R@N}R@N}@S@NbbabcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ4C0kl    h0l    hk0    hhl    hkh    hkk    h -hl   hk-h   hk-k  -h 2h l2h -h lhkl    







????????????@??@3(  Centric Zone ,i3, Reflections of Type  ,a7)Weh00    0k0    00l    hh0    h0h    0kk    h -h0   h0-h   0k-k  -h 2h 02h -h 0hhh    hkl    C??C?C?C?CC???C?C?C??@?C?@C?C( EPSILON Zone ,i3)( Reflections of type ,a7)( Multiplicity ,i3)żgżgżgżgżgżg75ǼYȼ@Zd ɼ@Z`ҼZ`Ҽ[`Ҽ@[Լ[ּ^ּ^`ؼ^ּ^ ڼ^ۼ^ݼ^HJFDQPWABYIRGKLMPABCIFRH?`^`a`a`aa`a`@N`b` b`@N`@N`@b``b``b`b`bbH`b`b@^@a@@b@m ^ a^o`^^^HJFDQPWABYIRGKLM^p@Z^pp@5^@5s@5s@5s@5t@5@t@5`t@5t@5t@5t@5t@5u@5u@5u@5 u@5@u@5`u@5`u@5u@5u@5u aP(From ,a,, ,a, ,a) ½Lp@ý^@ý x`Ž^`Ža ǽ^ ǽ@y ǽ@y(a, line--- ,a)@N@N z@N нhq нhq                    (/,/,/,/,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.,/,/)@r(
)(-------------------------------------------------------)vwUNKNOWNUNKNOWNOLD    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)|w x`ٽx()y(
)8y( Times: User: ,f9.1,s System: ,f6.1,s Elapsed:,i5,:,i2.2)@Ny @ ( ,a,: ,a)4z  `ݽ`ݽ( ,a){{{^` @Z ` b `  `  `  `  ` @Z `  ` @N `  ` @N `  ` @Z ` @ ` ` `  `  `  `  `  `  ` a ` a ` @ ` ` #oP754<@?$M %d  1234567890&^&&'^'@N`)^XYZ123456789`+`+  -@P(i2,/,i2,/,i2)-^-(i2,2(:,i2.2))$@'" #!0123456789+-*/E.e  =, @9p?W@N@NbWWWW  1234567890(/ **SYMMETRY OPERATOR ERROR**)( **INVALID CHARACTER...,a1, **)( **BLANK OPERATOR FIELD**)(/ **NO OPERATOR**)( **LAST GENERAL POSITION IS INCOMPLETE**)``Ń``abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ$Id: library.c,v 1.62 2002/06/14 12:31:51 ccb Exp $q^UNKNOWN SCRATCH OLD NEW READONLY vv( In PGDEFN: Nsym = ,i6)````` `@```@N````@Nx@Ȅ"!#namelist inputrealloc failure(LHXX̾`@ `@ `@ `@ 0123456789ABCDEFL<f<<<<<<==6=P=j======> >:>T>n>>>>>> ?$?>?X?r??????@(@B@\@v@@@@@@A,AFA`AzAAAAAAB0BJBdB~BBBBP 0p ϾPP/ts ӿ`ۭpЗpW`PP<@8DHhdL\XT`PpxlL$8\,) 07d0/?asdW/tdX/dX/<DX/Dm/Dr/D{/D/D/D/D/D/D/D/D/D/D/D/D/D/D/D/D/D0D0D0D0D0D!0D(0D00D?0D B0D Y0 $X/4@k @@@@@@m/Y0$Z0D&Z0D)i0D+|0D,0($&Z0D'LZ0M0N$,O -] .k /z 0 n o&u&z!d0" <G`CU @ 030EX/V0n0 1 $(,048<@DHLPTX `, `3=GQ`[Xe`o8y:@::;@;;;< <<`=>@??,?9 dA hG lO a j s | $ < @ `    Ě Ț ̚ К Ԛ ؚ     " , 6 @ J T ^ h r |    ( , @ `    @@ (@<@$P@0d@<x@H@T@`@l@x@@AA,A@ATAhA|AAAAA B"`B/B<BIBV p\ tb xk |t }                    $ ( ,% 0. 47 8@ <I @R D[ He Lo Py \ h l p t x |     p     ) 4 ? 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