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Reflection files format: Difference between revisions
→LCF
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<pre> | <pre> | ||
! reads cell, column labels, comment, and reflection data from LCF file - Kay Diederichs 7/2019 . | ! reads cell, column labels, comment, and reflection data from LCF file - Kay Diederichs 7/2019 . | ||
! Nota bene - symmetry i.e. space group seemingly not stored in LCF file | ! Nota bene - symmetry i.e. space group seemingly not stored in LCF file | ||
! reading VAX format is easy with the ifort compiler since it understands VAX REAL format: | ! reading VAX format is easy with the ifort compiler since it understands VAX REAL format: | ||
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! program variables | ! program variables | ||
INTEGER :: i | INTEGER :: i | ||
CHARACTER :: string*120 | CHARACTER :: string*120 | ||
i=COMMAND_ARGUMENT_COUNT() | i=COMMAND_ARGUMENT_COUNT() | ||
IF (i/= | IF (i/=1) STOP 'usage: lcf_dump <name.LCF>' | ||
! read command line | ! read command line | ||
CALL GET_COMMAND_ARGUMENT(1,string) ! expects LCF filename on command line | CALL GET_COMMAND_ARGUMENT(1,string) ! expects LCF filename on command line | ||
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OPEN(1,FILE=string,ACCESS='STREAM',ACTION='READ',CONVERT='VAXG') | OPEN(1,FILE=string,ACCESS='STREAM',ACTION='READ',CONVERT='VAXG') | ||
WRITE(*,*) 'LCF file: ',TRIM(string) | WRITE(*,*) 'LCF file: ',TRIM(string) | ||
! read header and cell | ! read header and cell | ||
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! read column labels and comment | ! read column labels and comment | ||
string='' | string='' | ||
DO i=1,( | DO i=1,(header(8)+3)/4 | ||
READ(1)string(1+(i-1)*4:i*4),separator | READ(1)string(1+(i-1)*4:i*4),separator | ||
END DO | END DO | ||