Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9053da17d03e4a793b3860c732ce6e8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.022,
"b": 57.182,
"c": 65.051,
"alpha": 90.00,
"beta": 94.68,
"gamma": 90.00
},
"wavelengths": [0.92201],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.38,1.16],
"number_observations": 452047,
"number_observations_unique": 86574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.7
},
{
"type": "Completeness",
"value": 78.7
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.18,1.16],
"number_observations": 544,
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.653
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 1.0
},
{
"type": "CC(1/2)",
"value": 0.140
}
]
}
]
}