Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a5dbefe85df772d5d7fdddcf24c10cf",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.248,
"b": 60.248,
"c": 96.119,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95390],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.180,0.990],
"number_observations": 1792794,
"number_observations_unique": 108816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 16.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.010,0.990],
"number_observations": 18829,
"number_observations_unique": 3787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.862
},
{
"type": "R(meas)",
"value": 0.963
},
{
"type": "R(pim)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 69.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [52.180,5.420],
"number_observations": 14482,
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 92.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}