Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c768ff291356eef95acc74fa0608d98e",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.036,
"b": 77.479,
"c": 117.847,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.924,1.953],
"number_observations": 140191,
"number_observations_unique": 14530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.133,1.953],
"number_observations": 2492,
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 61.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [58.924,6.223],
"number_observations": 7506,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 90.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}