Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c822200cbcdfbe73e9f489826d91a95",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 82.422,
"b": 116.041,
"c": 147.388,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.69,1.85],
"number_observations": 830374,
"number_observations_unique": 60472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.89,1.85],
"number_observations": 51028,
"number_observations_unique": 3664,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.127
},
{
"type": "R(meas)",
"value": 6.360
},
{
"type": "R(pim)",
"value": 1.699
},
{
"type": "I/SigI",
"value": 0.2
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
}
]
}