Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88795226a35dae37a89de875ab625dc6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.317,
"b": 52.414,
"c": 44.278,
"alpha": 90.00,
"beta": 102.95,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.850,1.680],
"number_observations": 90008,
"number_observations_unique": 28227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 3745,
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.131
},
{
"type": "R(meas)",
"value": 1.402
},
{
"type": "R(pim)",
"value": 0.817
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.371
}
]
},
{
"resolution_limits": [54.850,8.900],
"number_observations": 786,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}