v1.0.0-rc.81

This commit is contained in:
2025-09-21 19:27:51 +02:00
parent 3ded4cd3ce
commit 5d9d2de4a4
243 changed files with 3401 additions and 935 deletions
@@ -193,6 +193,20 @@ export type dataset_settings = {
* Maximum number of spots that are saved/used for indexing; spots with highest intensity are selected
*/
max_spot_count?: number;
/**
* Flag spots as ice rings and reduce their effect on indexing
*/
detect_ice_rings?: boolean;
xray_fluorescence_spectrum?: {
/**
* X-ray fluorescence scan energy for each measurement point
*/
energy_eV: Array<number>;
/**
* X-ray fluorescence scan result in arbitrary units; must be exactly the same length, as energy_eV
*/
data: Array<number>;
};
};
export namespace dataset_settings {
@@ -10,6 +10,7 @@
export enum indexing_algorithm {
FFBIDX = 'FFBIDX',
FFT = 'FFT',
FFTW = 'FFTW',
AUTO = 'Auto',
NONE = 'None',
}
@@ -42,5 +42,11 @@ export type indexing_settings = {
* Relative distance tolerance for unit cell vs. reference; Lattices outside given tolerance will be ignored
*/
unit_cell_dist_tolerance: number;
/**
* Include spots marked as ice rings in the indexing run.
* If `dataset_settings` doesn't have `detect_ice_rings` on, this option will have no effect on processing.
*
*/
index_ice_rings: boolean;
};
@@ -38,5 +38,9 @@ export type spot_finding_settings = {
*
*/
quick_integration: boolean;
/**
* Width of ice ring in q-space in reciprocal space
*/
ice_ring_width_q_recipA: number;
};