GARANT COMMANDS: report fragments - analyse assignments on the level of fragments USAGE: report fragment For each fragment a line is printed describing the quality of the assignment. The quality of the assignment is judged using criteria that must be defined using the criteria command. For each criterion a symbol is printed indicated whether the assignmnets conforms well, reasonably or badly to the criterion. In addition a comment can be printed for each criterion that gives additional information. The nature of this additional information depends on the type of the criterion. Prior to the use of this command the quality of the assignments must be evaluated using the 'report calculate' command. EXAMPLE: # define criterion, judging inta-residual assignments criteria fragment intrainter intra 0 0 # turn on the comment for this criterion criteria comment on intra # define thresholds to classify into classes good,reasonable and bad criteria threshold intra 0.6 0.8 # define criterion, judging the sequential HB peaks criteria fragment template seqHB "HB(*) *(+1)" # define criterion, judging the sequential HA peaks criteria fragment template seqHA "HA(*) *(+1)" # define criterion, judging the sequential HA peaks criteria fragment template seqHN "HN(*) *(+1)" # define criterion to compare with the comparison assignments criteria fragment mapping map criteria comment on map # produce report report calculate report fragment EXAMPLE OF OUTPUT: 0 1 2 3 4 i s s s m n e e e a t q q q p r H H H a B A N ASP 1 : . . . 0 . | 0) 1 4) CYS 73 THR 2 : - * . * . | 0) 0.7759 4) THR 3 THR 3 : * * * * . | 0) 0.524 4) THR 41 VAL 4 : . . . * . | 0) 0.916 4) VAL 4 SER 5 : - . . . . | 0) 0.7804 4) SER 5 GLU 6 : . 0 * - + | 0) 0.8761 4) GLU 6 PRO 7 PRO 7 : . . . 0 + | 0) 0.913 4) GLU 6 PRO 7 PRO 9 ... On the top of this list the names and numbers of the different criteria are given. Following are lines for each fragment. The name and number of the analysed fragment is given on the left of the ':'. Following is a summary of the quality of the different criterions for the given frgament. The signs have the following meaning: '*' ... bad assignment '-' ... reasonable assignment '.' ... good assignment Comments to the different criteria are following the '|' sign. For example in the case of 'intrainter' criteria or of template criteria, the ratio of assigned peaks is listed. In the case of the map criterion a list of all fragments of the comparison assignments from which the assignments have been taken is given. For example, this means that THR 3 of the current assignment corresponds to THR 41 of the comparison assignment or that the current assignments of GLU 6 consists of parts of GLU 6 and of parts from PRO 7 from the comparison assignments. SEE ALSO: report calculate, criteria ...