[Animl-develop] LCMS

[Mark F. B. <sa...@co...>]

While I have Burkhard's attention...(hopefully)

(1) Is LCMS its own technique or does it reuse LC and MS? (do hybrid
techniques need their own individual definitions?)  Let's assume LCMS reuses
LC and MS.

If ExperimentStep is the application of a technique, then LC and MS Pages go
in differnt ExperimentSteps while UV214, UV254, ELS, NCLD all go in the same
ExperimentStep.

If multi-detector data goes in multiple ExperimentSteps, then how do we hold
multiple instances of that hybrid analysis in one file?

Or perhaps they shoould all go in the same Exper ExperimentStep.  Now we
have further possibilities - are these to be grouped together, entered
hierarchically in PageSet-Page-PageSet nests?  What if you have LCUV and a
series of MS spectra with no parent chromatogram? etc. etc.  Will each new
hybrid technique have to define its own way of nesting data.  Perhaps you
begin to see why I suggest we do away with nesting and use clearly defined
categories and pointers to link them together (keyrefs).

If they go in the same ExperimentStep, is there any requirement that they be
in a particular order?  Could you order them like this:
MS1, UV chromatogram, MS5, ELS chromatogram, MS2, TIC chromatogram, MS25,
XIC mz215-217 chromatogram, MS4...

Inserting data is one thing, parsing another, but attempting to hold large
datasets in memory quite another.  As a result, AnIML Viewers may have an
impossible challenge.  I would recommend that we strictly standardize the
order of elements in AnIML and also require the creation of a timeline
technique to include:

timeOffset
index
character-offsets to each Page\Vector

The last item makes viewing large numbers of spectra possible.  Without it,
AnIML is reduced to a data interchange format and cannot be viewed directly.
Which raises the question of character encoding - should we enforce Unicode
xxx...thus doubling the size of our base64binary EncodedValueSets.

I want to reduce the possible ways to fill AnIML to one.