Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cbd29a9065d4298d06c587e7ef95c0cc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.78,
"b": 53.49,
"c": 44.45,
"alpha": 90.0,
"beta": 101.7,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.680,1.840],
"number_observations": 83978,
"number_observations_unique": 22778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 5191,
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.582
},
{
"type": "R(meas)",
"value": 1.837
},
{
"type": "R(pim)",
"value": 0.920
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.304
}
]
},
{
"resolution_limits": [55.680,9.010],
"number_observations": 807,
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
}
]
}