Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5cae059103e4d235a3378fc49b4a4fe4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.400,
"b": 53.309,
"c": 46.060,
"alpha": 90.00,
"beta": 100.64,
"gamma": 90.00
},
"wavelengths": [0.91262],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.01,1.94],
"number_observations": 65315,
"number_observations_unique": 19190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.04,1.94],
"number_observations": 10039,
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.250
},
{
"type": "R(meas)",
"value": 1.480
},
{
"type": "R(pim)",
"value": 0.785
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
}
]
}