Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9eb692a75e06db195f8154d63506bebc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 93.536,
"b": 108.415,
"c": 109.800,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.570,2.680],
"number_observations": 417423,
"number_observations_unique": 31660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.680],
"number_observations": 45546,
"number_observations_unique": 3981,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.451
},
{
"type": "R(pim)",
"value": 1.048
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [38.570,8.910],
"number_observations": 11540,
"number_observations_unique": 974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}