Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d9eb97222a30807bf2e4e8684df79d46",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 76.08,
"b": 47.02,
"c": 93.24,
"alpha": 90.0,
"beta": 108.5,
"gamma": 90.0
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.3930,2.100],
"number_observations": 118930,
"number_observations_unique": 36885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 9842,
"number_observations_unique": 3050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.958
},
{
"type": "R(pim)",
"value": 0.633
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
},
{
"resolution_limits": [39.390,8.910],
"number_observations": 1537,
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}