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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)(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 READONLY#!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(' 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(' OR maybe ',A,' has been assigned twice')**** Warning: no argument given for LABIN **** Not enough argument pairs of type (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 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 storedRESOVALMCOLUFrom LROPEN : Column Label has unrecognised type () - set to RNDIFPROJCRYSDATADCELDWAVBATCFrom 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,3I4,2A,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 LRSYMI : IndexFrom LRSYMM : Index(A,A,I4)(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,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 index(A,I5,A/1X,A) *** WARNING - More than characters in (continued) line *** *** Parsing truncated line beginning with:CommentHLPWIN Can't open file Data*** 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/mmm31231M3BAR1M3bar1m222MMMMM22MMM2Mmmm2C2M2/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/nullUNFORMATTEDFORMATTEDSEQUENTIALDIRECTDELETEKEEPWORDSFORTRANLISTCCPOPN 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 memory Illegal number in field Real number expected at end of line(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)(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**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 ***** WARNING - MORE THAN ITEMS IN THIS LINE - IGNORING THE REST****BYTESUSERLOGNAME;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_udstartiosfesueread startstartwrite startlist output startrewindendfilestartintinwriterecends_catNOYESZERONULLr+wwmalloc failureopenfort.%ldno spacesdfuSTOP 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 bad repetition countinvalid integerexponent fielde%ldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalundelimited character stringlist iostlerliolist in%.9Gunknown type in lio0123456789ABCDEFrd_ed, unexpected code: %d rd_ned, unexpected code: %d left offw_ed, unexpected code: %d w_ned, unexpected code: %d malloc(%u) failure in %s %#.*E%+.2d+00%#.*f@ @?$@@@?@z?Y@ư>@f@ll??v@?MbP?s*> _&{??a ;??L=33'7@4CCL> A=?o:p@>>t=B #<«*=AHC@@E̽pA GBB75@A`ʳ 0/0/ P <?C A? (///, ****** OASIS ******,/ Version 1.2.1, 23 Oct 2001,//A program for phasing OAS (One-wavelength Anomalous Scattering),/or SIR (Single Isomorphous Replacement) data,//Authors: Q.Hao (1,2), Y.X.Gu, C.D.Zheng & H.F.Fan (2),/ (1) Cornell University, USA,/ (2) Institute of Physics, Chinese Academy of Sciences,/ Email: qh22@cornell.edu or fan@aphy.iphy.ac.cn,///)(a132)`  (80a1)(/1x,NUMBER OF ATOMS IN ASYMMETRIC UNIT =,f10.2)(/1x,TOTAL NUMBER OF REFLEXION (IN DATA-FILE) =,i6/1x,MAXIMUM (SIN(THETA)/LAMBDA)**2 =,f7.4/1x,NUMBER OF POINTS ON WILSON PLOT =,i3)(80a1/ DIRECT CELL:/ A B C ,ALPHA BETA GAMMA/6f10.5/ ATOMS IN THE WHOLE UNIT CELL:/ N1 N2 N3 N4 N5, N6 N7 N8 Z1 Z2 Z3 Z4 Z5 Z6 Z7 Z8/16i5/ ICENT LATT NSYM NASU /4i5)( EQUIVALENT POSITIONS IN REAL SPACE:/3(f11.8,3i3))(53x,a8,3x,a8) J`@ @ v %}ypu8v -o>"];A6 wq^ ~: z#Dk0zn e ?1R|My / & Ty'BOxj gAUq92>$_?h?a?|@ @fCAC@Ab@#}@8g@s@Gr@S@m@8@]7A@cA A%A&A$A?*A4AOh?LA'A?WA9@г@TR@@Z@c@X9x@Le@P@HD@%u6@(@*:@ @~?f?8?:?Y?%?)>7]?+N?d@?2?%?7?/ ?ё@t@N(@@g{@jd@M@Ѯ<@3@1@f*@G$@_A@[@7@@f @<@5@k@F?n?K?z?v2?&????M> ?'?0?X94?t3?-/?)?}%???L8?i9 ?4? ?B>8>(>>S>B%>!?n4@?[??\?uH@Z@l )@33G@CK@ @9?[BB@0@A@H@@@d@@b@6<@Q@o@o@@X@\@@Qk@@B>@*:@@P@KA+A$A+/A:@AAM1ANAeAxA A'AzA͘A/]ACAA=A٘AB`AʜA'A[ADzABA hAtAnA}A=AZAmA_)~AvAfsArA6sAHvA{Aq=A9օAxAAgUAgDAQAL7OAwA6+A@ApAO@A[ӸA `A[AjMAmżAfwA)AFAU0AAF@V@ ?_?!?Q#AJAio@k@F[@y AB >?UBAAA F?smAKYF?5(???>9>鷯>RI>r>S>|>2n>"v>р>†>:>AASAaABLA>AA=~>F> >>q>Wz>Gh>jc>ޮW>(N>s*I>]F>]Q:>H>-O>ɰJ>d>Քt>>WA1AgAIAyAA6 A A A,AQ A@;@?c@_~@6@Y@3w@i@]@yZ@T@@P@P@6M@E@B@~@@J}I>U>{?u ???W?@)?-?U0?*:? ??Ԛ? ? ?-@e'??؁? ?|?@jT@6zAe*AdA'1A"ARA%5FBkAǪBLB2fqBS?A9֥>T>h"l>.>8>`A--??ׁ>'Aܗ/B/UC.BCB&AAoAuA XA BAyX6A%A|,A&7A*OAsA>†g>>d*>>=)Q>b0AːAeAA@AHA=AA A[BA*:A A*AkAAI.A݌A"A(~AIqAdfA\ANAJA CA 7A35A/A*A>܌>L>A>t>%>>Ad>Ž?T?R?T A AAO6Aڬ`As׸AAʔAATcAٽAuA oAeAVAHPNAlxFAML=E6>;>A3?4?p]?RI?]?C?G?;p?Ϊ@x?}??Ҿ? ??%u?]?h?m?x?@i?V@|@R@Q@?5?q=@S=@Fk@@mV@ @ffb@Ӽ?s*@.Q@j@5$b@o@-@Υ???)?+?Έ@@[+@!@@R?e?,@RaR@&U@4@|6@8@X9@ ;@b@=@-=@h@>@+?@V?@m@@:z@գ@"@䠵@>@@@@k԰@@@@@/@3@M@ł@1ә@'@@@^@d_@@ms@·@ @j{?B(C ?Ϊ>ԚNBF%?BI.AHAlC2@]-B-cB9TB!`B?BTB&Bo2CiMB5BBzB4B™BVB(B BjBmuB [BU0?BC/B0%BB$CB`C?BMSBfB4vBıBꕼB`6B̙BB BB BBv8h>!>>V-?[??u? ?)]?`?O?G?x??%?s?x?$??d]?r???8g@!@N5@0*=@4@/_@h @??o@`p@ff@@@~@@^@8@ @@@C@EG@"m@sU@xz1@d @j?0@?4@j @$@@Se@Q@,@it@2@"@=@M AA33AP'A 0A"7AG;A AAIA)RAVAO@YAZAp_[AJ [A_[AYAlXAVAVAyXVAUAeVAHUATA hTAEGTAH K L F1 SIGF1 F2 SIGF2 HHHFQDQ ABCIRFP    b???@T@@j)X^()x^()()^^()()@_b_ (/,/,/,/,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". 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