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Orientation data for batch found when expecting data for batch*** Invalid orientation data ***(a)(/a,a/a/)(/,a,/)(/,a,a,/)(A)(a,a)(/a,4f10.3/)(a,i8,a,i8)(/,/) ** Unrecognized keyword ** ** Ambiguous keyword **ADDSTARSTEP *** STEP only valid after START ***REJEINCL *** Only one of ADD, START, REJECT or INCLUDE may be given on each command *** === WARNING: this INCLUDE command may conflict with previous REJCT command(s) === Is this what you want? ===MAXW *** Only one of ADD, START, REJECT, INCLUDE or MAXWIDTH may be given on each command ***PNAMDNAM *** Only one edit command can be given for each BATCH command ***BATCALL ** Error in BATCH list ** *** No edit command given *** No batch specification given, ALL assumed ==== WARNING: only one new history line may be added to file ==== *** DETECTOR must give 4 limits ****** Illegal DETECTOR command *** Reset detector limits to: *** Batch is renumbered to a illegal non-positive value, ***** Error in input *****Old batch no. New batch no. Maximum allowed width New project name New dataset name ** Missing or illegal value **TO(A,I8) **** Error in SETUP: overflowed hash table, size CURWIN*** Filled hash table in SETUP ***------------------------------------------------------------tocContentsMessage 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 FREADONLY#!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,I5)(A,A,A)HLPWIN Possible keywords are: CHKKEY: too many ambiguities : Keyword is ambiguous: possibilities are -(A,I4) Illegal number in field (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 assignments(A,A,I2,A)From LRBAT : IndexFrom LRBAT : File open on index is NOT a multi-record fileFrom LRBATS : Index(A,A,I2,A,I8)From LRBRES : IndexFrom LRBRES : File open on has no batch number From LRBSETID : IndexFrom LRBSETID : no batches present to read!(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 RNDIFPROJCRYSDATADCELDWAVFrom LROPEN : Batch information in MTZ header inconsistentFrom LROPEN : Illegal keyword in MTZ header - line ignoredERRWINFrom 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,A,A,I5)From LWBAT : IndexFrom LWBAT : File open on Index From 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!From LWCELL : IndexFrom LWCELL : You are changing the cell after you havewritten reflections to file - resolution limits will be wrong(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,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:Comment Can't open file DataCBINCHTMLCCP_PROGRAM_IDCCP_SUPPRESS_HTMLCCP_SUPPRESS_SUMMARY ERROR in s/r GETELAPSED calling ETIME(1X, A)()UGERR4.2.24.2 CCPDPN: illegal status : CCPDPN: illegal type: (Z8.8)(I5.5)Non standard logical name Too many logical namesundef/dev/nullNL:libprtbesdicCLIBDCLIBD: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 ...From LRID : IndexReal 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 From LRCLOS : Index(A,I2)From LRHDRL : Error reading header record from MTZ file, want 80 bytes, got CUNLINK: Can't unlinkCCPALC: can't allocate memoryBad 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****SYMMETRY OPERATOR ERROR**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(A,I4,A) ***** WARNING - MORE THAN ITEMS IN THIS LINE - IGNORING THE REST****USERLOGNAMECCPNUN: Can't find an unused unit(' **CCPOPN ERROR** Invalid parameters in call',/)**CCPOPN ERROR** Invalid parameters in callPRINTERTERMCCP4_OPENUNKNOWNnl:UNFORMATTEDFORMATTEDSEQUENTIALDIRECTDELETEKEEPWORDSFORTRANLISTSCRATCHCCPOPN Logical name has no associated file name Open failed: File: Logical name: , Filename: ;(1X,I6,4X,A) Batch number: From LPHIST : Index* There is no History information in this MTZ file* HISTORY for current MTZ file : 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 ccp4calloc(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: BYTESFloating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtstartiosfeendfilestartintinwriterecendwrite startlist output starts_catread startSTOP statement executed NOYESZERONULLgetenv_r+wwmalloc failureopenfort.%ldno spacesdfunmLbuf 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 0123456789ABCDEFe%ldrd_ed, unexpected code: %d rd_ned, unexpected code: %d left offw_ed, unexpected code: %d w_ned, unexpected code: %d bad repetition countinvalid integerexponent fieldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalundelimited character stringlist iostlerliolist in%.9Gunknown type in liomalloc(%u) failure in %s %#.*E%+.2d+00%#.*f8L= #<BB75? A@A=MbP?@s*>? _??$@`z`65p5(/5x,i8, reflections written to output file/5x,i8, reflections in rejected batches not written/5x,i8, reflections rejected for too big WIDTH/)`H K L M/ISYM BATCH WIDTH HHHYBR ף; ף<8@>`P`BATCH TITLE HISTORY DETECTOR CELL WAVELENGTH END (// List of original batch numbers and new batch numbers,, = 0 if rejected,/)(Reflections with width greater than maximum allowed ,width will be rejected,/)(/,/,1x,a,1x,a,1x,a,1x,a,1x,a,/)(1x,i8,7x,i8,10x,f8.2,14x,a10,10x,a10)(HISTORY : New history record for file HKLIN.,/)(DETECTOR: Reset limits of detector coordinates ,XDET, YDET for all batches.,/)(/ New unit cell for file & datasets headers:,6f9.3)(/ New wavelength for file & datasets headers:,f9.5)@@`@ `@@ @(/,,a,)(/,,a,)(a)(/,/,a,/,a,/)(/,a,/) DHV( ) (,a,)(,a,)(a)`   (
)(-------------------------------------------------------) @ ()()  ()()`  (
    ) (
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  • ,a,)(a)@ f (i2,/,i2,/,i2)  environ.def default.def (a)@@ @abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ`@``@@@d@@@@@@@`@@@@`@ @@HJFDQPWABYIRGKLMPABCIFRH?AAAAA A@AA`AAAAAAAA~A HA`A`AA AA``A`A  A A` A@ A@ A`AAAAAA A@A`AAAAA A@A`AAAAAAAAA A@`B PBB)B)B@+B+B `-B`-B``-B` (a, line--- ,a)@`6B|`6B|(i2,2(:,i2.2))( ,a)000 (/,/,/,/,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.,/,/)()4()T( Times: User: ,f9.1,s System: ,f6.1,s Elapsed:,i5,:,i2.2)@`@( ,a,: ,a)T UNKNOWN SCRATCH OLD NEW READONLYPRINTER F U DFDU @B @B@ EBFBd`GB`HB B  B`  B@  B`  B  B  B  B  B  B  B  B  B  B  B   B@  B`  B  B  B  B  B   B   B  B  @BB@P754<@?#B MB`d  1234567890@BXYZ123456789@B@B B@PB$@'" #!0123456789+-*/E.e  =, B(
    )&UNKNOWNUNKNOWNOLD    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)@'' B(abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ2	nonea*  b*  c*  *** unknown data type ***oscillation data         area detector data       Laue data                (/1x,19(++++)// Orientation data for batch,i8,5x,a//   Crystal number ...................,i7/   Associated dataset ID ............,i7/   Cell dimensions ..................,6f7.2/   Cell fix flags ...................,6i7)(   Orientation matrix U .............,3f10.4/       (including setting angles)    ,3f10.4/37x,3f10.4)(   Standard orientation matrix U ....,3f10.4,2(/37x,3f10.4))(   Missetting angles PhiX PhiY PhiZ..,6f7.2)(   Reciprocal axis nearest ,a8,..,3x,a4)(   Mosaicity ........................,f7.3)(   Mosaicity (horizontal, vertical)..,2f7.3)(   Datum goniostat angles (degrees)..,f8.3,2f9.3)(   Scan axis ........................,2x,a8)(   Start & stop Phi angles (degrees).,2f9.3/   Range of Phi angles (degrees).....,f9.3/   Start & stop time (minutes).......,2f9.2)(   Batch scale & SD .................,2f9.4/   Batch B-factor & SD ..............,2f9.4)( Crystal goniostat information :-/   Number of goniostat axes..........,i7/   Goniostat vectors.....,a8,....,3f9.4/                    .....,a8,....,3f9.4/                    .....,a8,....,3f9.4)( Beam information :-/   Idealized X-ray beam vector.......,3f9.4/   X-ray beam vector with tilts......,3f9.4)(   Wavelength and dispersion ........,2f9.5)(   Wavelength and dispersion ........,3f9.5/   Divergence .......................,2f7.3)( Detector information :-/   Number of detectors...............,i7)(   Crystal to Detector distance (mm).,f9.3/   Detector swing angle..............,f9.3/   Pixel limits on detector..........,4f7.1/)(1x,19(++++)/)Bd B)P2) B*P2* B+P2+ B@+P2@+ B+P2+ B+P2+ B,P2, B@,P2@, B,P2, B,P2, B`-P2`- B-P2- B.P2. B /P2 / B`/P2`/ B/P2/ B 0P2 0 B0P20`B$Id: library.c,v 1.62 2002/06/14 12:31:51 ccb Exp $UNKNOWN   SCRATCH   OLD       NEW       READONLY  B@B`<d|LTP

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