Specifications

26
User-independent, automated
result version management
The data storage includes an
application controlled version
management that is based on the
creation of a result reference file.
Prior to reprocessing, the applica-
tion software creates a binary
result registry file called
save_sec.reg for each file. This
save_sec register is stored along
with the raw data. It includes all
numeric results of the current
result revision in a binary format,
such as amount, compound reten-
tion time and so on. Whenever a
new result is calculated, the soft-
ware automatically compares the
new run result with the original
result in the register file. If the
results changed, the software
detects the difference between the
most recent and the current result
and creates a new result version.
For proper documentation of the
changes, the application software
creates a second file in a human
readable format that stores the
results of the comparison and doc-
uments the changes. The file is
named sec_trac.txt and is stored
along with the raw data in the *.d
subdirectory, as shown in figure
14. Both the registry and the text
file are also stored in the database
along with the raw data and they
can be restored in order to regen-
erate the result from raw and
meta data at any time, for exam-
ple, in an audit situation. Manual
integration events are also docu-
mented in the Manual Integration
Events section of the ChemStore
audit-trail as shown in figure 14a
Figure 14
Text file documenting result changes for the actual run revision
Figure 14a
Manual integration events documented in ChemStore run audit-trail