Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "431f39cff120945f3ed9feaaad1caeb9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.952,
"b": 67.966,
"c": 333.866,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96861],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [166.930,1.849],
"number_observations": 381744,
"number_observations_unique": 63759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.855,1.849],
"number_observations": 44450,
"number_observations_unique": 9217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.708
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
}
]
}