Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a38a020e29ad4fd54a8b038b282f371e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 88.370,
"b": 88.370,
"c": 186.491,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.160,2.850],
"number_observations": 103000,
"number_observations_unique": 20141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 12858,
"number_observations_unique": 2839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [59.160,9.010],
"number_observations": 4515,
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}