Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8004fc26c9937c75a1983c7aee730494",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 159.895,
"b": 67.252,
"c": 151.639,
"alpha": 90.0,
"beta": 111.5,
"gamma": 90.0
},
"wavelengths": [0.98400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.780,2.620],
"number_observations": 136067,
"number_observations_unique": 44773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.620],
"number_observations": 12302,
"number_observations_unique": 4351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 1.054
},
{
"type": "R(pim)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.368
}
]
},
{
"resolution_limits": [78.780,10.150],
"number_observations": 2411,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
}
]
}