Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba5b9ceca07c6fefb64a9067b7b6aedb",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.880,
"b": 96.727,
"c": 58.050,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.050,1.860],
"number_observations": 120199,
"number_observations_unique": 19427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 2969,
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "R(meas)",
"value": 0.933
},
{
"type": "R(pim)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 63.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.740
}
]
},
{
"resolution_limits": [30.050,8.930],
"number_observations": 1271,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}