Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e3b727538a6c47551ca3492e5e1d3dc",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.804,
"b": 70.804,
"c": 196.255,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [196.260,2.880],
"number_observations": 207204,
"number_observations_unique": 12087,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.857
},
{
"type": "R(meas)",
"value": 2.947
},
{
"type": "R(pim)",
"value": 0.708
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
"refln_shells": [
{
"resolution_limits": [3.030,2.880],
"number_observations": 27864,
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 62.893
},
{
"type": "R(pim)",
"value": 15.647
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [196.260,9.100],
"number_observations": 5912,
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}