Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a1119554fb857c9862f4b8090ec13e6",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 80.50,
"b": 80.50,
"c": 139.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.720,1.410],
"number_observations": 993533,
"number_observations_unique": 52288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.410],
"number_observations": 61212,
"number_observations_unique": 3774,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.470
},
{
"type": "R(meas)",
"value": 2.551
},
{
"type": "R(pim)",
"value": 0.631
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.200
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [69.720,6.310],
"number_observations": 12362,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 63.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}