Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a82380d193101efe8717782a8d62ab2e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.197,
"b": 51.268,
"c": 48.583,
"alpha": 90.00,
"beta": 101.08,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.320,0.970],
"number_observations": 405332,
"number_observations_unique": 129948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 8645,
"number_observations_unique": 4118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 62.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [46.320,5.310],
"number_observations": 3000,
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}