Like Tim says SORTMTZ expects a different format used for unmerged reflection lists.
And I think this space in the filename causes the SCALEIT problem - linux operating systems often treat spaces as filename terminators.. But the " … " marks around a file name are meant to override the space terminator and I don't know why there are no such " in the HKLOUT line. Any GUI experts out there??? HKLIN "/Users/maryortmayer/Desktop/gere_MAD_nat.mtz" HKLOUT /Users/maryortmayer/Desktop/PhD/PmSAMOhemedomainpdb/My solving/gere_MAD_nat_scaleit1.mtz Eleanor On 5 Sep 2012, at 16:11, Tim Gruene wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > Dear Mary, > > I suppose the error from scaleit comes from working in a directory of > which the name contains a space. Create a working directory without > spaces and try again. > > This might be considered a bug in ccp4i: The script adds quotes around > the input filename (HKLIN), but not the output filename (HKLOUT). If > the latter would happen, this error might not occur. > > Scala fails because it calls sortmtz, and sortmtz expects columns of > the names M/ISYM and BATCH which are indeed not present in > rnase25.mtz, i.e. this failure is not a bug. > > Best regards, > Tim > > > On 09/05/2012 04:07 PM, Mary Ortmayer wrote: >> Hi, >> >> Thanks for your email Ed, here are the log files. Mary > > - -- > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.12 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFQR2uKUxlJ7aRr7hoRAlG/AKCu942PC1HwjcoBtFmqNFVmccs6AgCgtn0b > FpbdRg058mEhx9Vb6057/f4= > =/EaO > -----END PGP SIGNATURE-----
