Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7249919c52652f52a64faee18a16c5a6",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 65.911,
"b": 67.326,
"c": 121.637,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.100,1.450],
"number_observations": 300922,
"number_observations_unique": 47986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 10173,
"number_observations_unique": 2219,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.124
},
{
"type": "R(meas)",
"value": 1.267
},
{
"type": "R(pim)",
"value": 0.569
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.497
}
]
},
{
"resolution_limits": [47.100,7.950],
"number_observations": 1737,
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 70.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}