Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa3c47fe827f6ae586aa65a4ef777696",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 145.516,
"b": 151.461,
"c": 261.347,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.85000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.470,3.540],
"number_observations": 348403,
"number_observations_unique": 70880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.620,3.540],
"number_observations": 21929,
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.119
},
{
"type": "R(meas)",
"value": 1.255
},
{
"type": "R(pim)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [49.470,16.980],
"number_observations": 2571,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}