Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "bfa0a50a409c43512e5481dfbedf7211",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.204,
"b": 102.153,
"c": 147.025,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.010,2.160],
"number_observations": 233336,
"number_observations_unique": 36401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.160],
"number_observations": 20004,
"number_observations_unique": 3081,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.918
},
{
"type": "R(meas)",
"value": 2.083
},
{
"type": "R(pim)",
"value": 0.802
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [49.010,8.930],
"number_observations": 3550,
"number_observations_unique": 617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 51.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}