Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75f7ef4251962f5483d3b0a37659d810",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.108,
"b": 111.900,
"c": 62.620,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.200,1.850],
"number_observations": 275807,
"number_observations_unique": 24839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 9916,
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [66.200,9.060],
"number_observations": 2630,
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}