[Question] Adding 1/k0 information to selected precursor ions about psims

[mobiusklein]

To accomplish this, you need to pass the ion mobility measure as part of the params list that most components take. The following is brain-compiled, so it may need to be adjusted but I don't think I'll have much time to answer in detail tomorrow.

"precursor_information": [ # note the enclosing list
    {
        "activation": [
            "beam-type collisional dissociation",
            {"collision energy": 25},
        ],
        "isolation_window": [quad_low, quad_mid, quad_high],
        "scan_id": last_precursor_scan_id,
        "selected_ion_list": [
            {
                "mz": quad_mid,
                "intensity": sum(intensity),
                "charge": 2,
                "params": [
                    {"inverse reduced ion mobility": mobility_value}
                ]
            }
        ],
    },
]

The ergonomics of building a precursor ion list are still really bad, in part because the way <precursorList> is substantially more complicated than regular DDA-MS2-focused tools need it to be. I added https://github.com/mobiusklein/psims/blob/master/psims/mzml/writer.py#L1124C19-L1124C19 which tries to make this easier, but merely ends up a little more terse, a little more opaque without much better documentation than I've had time to write as yet.

[jspaezp]

Ohhh I see, thanks a lot for the reply! (It is by no means something critical so dont worry too much about it, just wanted to make sure I was not overlooking a part of the docs)