Multiple events
MultipleEventExtractor
- class apav.core.multipleevent.MultipleEventExtractor(roi, multiplicity, extents=((0, 200), (0, 200)))[source]
Handle extraction and access of multiple-event related data from an Roi
This class is responsible for extracting arbitrary multiple event data from Rois. The output is formatted in as pairs, i.e. a 6th order multiple event of the composition ABCDEF is formatted into the 15 ion pairs:
AB AC AD AE AF BC BD BE BF CD CE CF DE DF EF
The number of ion pairs generated from any nth order multiplicity can be calculated using
pairs_per_multiplicity()
.This class supports any multiplicity > 1, and also supports extracting the combined pairs all multiple events. For example, all of these are valid:
>>> roi = Roi.from_epos("path_to_epos_file.epos") >>> mevents = MultipleEventExtractor(roi, multiplicity=2) # Ion pairs from 2nd order multiple events >>> mevents = MultipleEventExtractor(roi, multiplicity=11) # Ion pairs from 11th order multiple events >>> mevents = MultipleEventExtractor(roi, multiplicity="multiples") # Ion pairs from all multiple events
The pairs can be access from
>>> mevents.pairs
More broadly, the indices of the pairs are accessed via
>>> mevents.pair_indices
Which allows for performing arbitrary analysis of multiple events on any data set attached to the Roi. For example, to form a plot of the difference in mass/charge ratio to distance between the ion pair in detector coordinates (to look at orientational properties of molecular dissociation):
>>> roi = Roi.from_epos("path_to_epos_file.epos") >>> mevents = MultipleEventExtractor(roi, multiplicity="multiples") # Use all multiple events >>> mass = roi.mass[mevents.pair_indices] >>> det_x = roi.misc["det_x"][mevents.pair_indices] >>> det_y = roi.misc["det_y"][mevents.pair_indices] >>> dx = np.diff(det_x) >>> dy = np.diff(det_y) >>> diff_det = np.linalg.norm([dx, dy], axis=0) >>> diff_mass = np.diff(mass) >>> plt.hist2d(diff_det, diff_mass, bins=100) >>> plt.plot()
- Parameters
roi – region of interest
multiplicity (
Union
[int
,str
]) – multiplicity order (int > 1 or “multiples”)extents (
Tuple
[Tuple
,Tuple
]) – two dimensional range to extract events from (think correlation histograms)
- property extents: Tuple[Tuple[Number, Number], Tuple[Number, Number]]
Get the 2-dimensional boundary that was used to extract the ion pairs
- Return type
Tuple
[Tuple
[Number
,Number
],Tuple
[Number
,Number
]]
- property multiplicity: Union[int, str]
int>1 or “multiples
- Type
Get the multiplicity of multiple events in the
MultipleEventExtractor
. Either- Return type
Union
[int
,str
]
- property n_pairs: int
Get the number of pairs extracted
- Return type
int
- property pair_indices: ndarray
Get the array of indices for the pairs. This is the same shape as
MultipleEventExtractor.pairs()
but this is used to index map ion pairs to other positional data in theRoi
.- Return type
ndarray
- property pairs: ndarray
Get the array of all ion pairs. These are ion pairs regardless of the multiplicity so the arrays is Mx2
- Return type
ndarray
- property roi: Roi
Get the
Roi
used in theMultipleEventExtractor
- Return type
pairs_per_multiplicity
- apav.core.multipleevent.pairs_per_multiplicity(multiplicity)[source]
The number of unique ion pairs produced from a single multiple event of given multiplicity.
A 6th-order multiple event composed of ions ABCDEF produces the 15 ion pairs:
AB AC AD AE AF BC BD BE BF CD CE CF DE DF EF
>>> pairs_per_multiplicity(6) 15
- Parameters
multiplicity (
int
) – integer multiplicity order
get_mass_indices
- apav.core.multipleevent.get_mass_indices(ipp, multiplicity)[source]
Get the array indices corresponding to multi-event events of a specific multiplicity
- Parameters
ipp (
ndarray
) – array of ions per pulsemultiplicity (
Union
[int
,str
]) – vent multiplicity
- Return type
ndarray
- Returns
array of indices into ipp