Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff2b8b8776a218e85a4de802b58a1a64",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.333,
"b": 71.333,
"c": 150.307,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.370,1.300],
"number_observations": 1060759,
"number_observations_unique": 95681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 16656,
"number_observations_unique": 4307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.689
},
{
"type": "R(meas)",
"value": 0.796
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.670
}
]
},
{
"resolution_limits": [29.370,7.120],
"number_observations": 7744,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 82.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}