Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bff65c86bc4ca7415f516abc7f6b8536",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.855,
"b": 96.628,
"c": 57.877,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.940,1.820],
"number_observations": 117667,
"number_observations_unique": 20419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 3060,
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.728
},
{
"type": "R(meas)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [28.940,8.750],
"number_observations": 1373,
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}