Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf4d0684e27153b5ba0ef1c1a5e0df3b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.601,
"b": 79.967,
"c": 53.831,
"alpha": 90.00,
"beta": 101.05,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.510,3.030],
"number_observations": 20367,
"number_observations_unique": 7908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,3.030],
"number_observations": 1395,
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [28.510,13.540],
"number_observations": 196,
"number_observations_unique": 71,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 78.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}