Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5810e1a6466e0935c0428b19cbfed499",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.439,
"b": 64.755,
"c": 74.344,
"alpha": 90.00,
"beta": 125.89,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.110,2.420],
"number_observations": 71085,
"number_observations_unique": 17176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.420],
"number_observations": 6851,
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.707
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [37.110,9.070],
"number_observations": 1311,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 39.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}