Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc162b91a0594fbb3225d80b5d1e78d9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.586,
"b": 68.023,
"c": 138.519,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.500,1.950],
"number_observations": 320675,
"number_observations_unique": 47406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 21271,
"number_observations_unique": 3302,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.447
},
{
"type": "R(meas)",
"value": 4.839
},
{
"type": "R(pim)",
"value": 1.894
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.308
}
]
},
{
"resolution_limits": [138.500,8.930],
"number_observations": 3270,
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 40.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
}
]
}