Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9850e7512274eec2466ee704c7a21863",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.31,
"b": 59.04,
"c": 61.43,
"alpha": 94.96,
"beta": 101.11,
"gamma": 95.09
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.270,1.700],
"number_observations": 231847,
"number_observations_unique": 59723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 12359,
"number_observations_unique": 3147,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.221
},
{
"type": "R(pim)",
"value": 0.711
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [44.270,9.000],
"number_observations": 1609,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}