Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa34234fa349674cd9d3b18492b2e408",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 79.949,
"b": 96.753,
"c": 57.980,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.380,1.950],
"number_observations_unique": 16759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8953,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.785
},
{
"type": "R(meas)",
"value": 0.842
},
{
"type": "R(pim)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [48.380,8.940],
"number_observations": 1363,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}