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All this comes from the information collected by the instrument. Each dataset has editable assigned properties below I show those that can be associated with the spectrum (accessed with MestreNova using Edit/Properties). In this case we use the MestreNova system for this task.

This data then needs to be processed by further software.

Thus the second break in the provenance trail.

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To my knowledge, although an instrument can have a unique serial number, such serial numbers of swappable components such as probes are not recorded by the collection software. the probe used to collect the data (probes can be readily changed over) or any calibration data used in setting up the instrument for the data collection are by and large not recorded.

In principle other audit trails can be inferred from these files, such as the unique identity of the instrument provided by its manufacturer.

Thus the first break in the provenance trail.

Typically, none of these files have propagated the original user ID under which the data was collected to do so would require a programmatic connection between the local authentication systems and the spectrometer software used, a connection that is normally missing.

The dataset itself вЂЎ contains a number of files that contain an audit trail (names such as audita.txt, auditp.txt) with the fields: #AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT).

When a sample is submitted, this ID is used to create a new folder containing the data as a sub-folder of the group ID and located on the NMR data servers.

Only the service manager has the information to associate this ID with real users and this information is normally not distributed. This ID is parochial, it does not reference any other information about the user in the institute. In our case, that ID relates to the research group rather than to individual researchers.

The prospective user of the NMR service is allocated a service ID.

Here I describe how such data is generated in my department details may vary elsewhere. Here I consider the audit trail that might serve to establish data provenance in one typical situation in chemistry, the acquisition of NMR instrumental data. Especially if that data is available as open access and exploitable by others for both valid scientific reasons but potentially also by those with other motives. In an era when alternative facts and fake news afflict us, the provenance of scientific data becomes ever more important. Plug-ins licensed and ready to use will be marked with a green checkmark, to know which other plugins you might wantRead More. How do I know what Mnova plugins are licensed? In case you want to know what plugins are licensed simply go to 'Menu вЂ“HelpвЂ“License Manager' or hover over the lower right corner of Mnova.

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