Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fe144150a09a0c93d2a1f0b453a9fda",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.757,
"b": 64.390,
"c": 74.689,
"alpha": 90.00,
"beta": 126.19,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.560,1.670],
"number_observations": 208292,
"number_observations_unique": 50015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 10054,
"number_observations_unique": 2474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.748
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [34.560,8.990],
"number_observations": 1248,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}