Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b8eb35cf1c12c6e021fbf9dc8294d9e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 79.593,
"b": 79.593,
"c": 63.453,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.68,2.25],
"number_observations_unique": 11371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.7
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [46.68,9.00],
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 28.0
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 16.1
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.32,2.25],
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.626
},
{
"type": "R(meas)",
"value": 1.732
},
{
"type": "R(pim)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 16.2
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
}
]
}