Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "682758c85e9b0b6c66fbe693222b1b63",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 59.69,
"b": 59.69,
"c": 214.74,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.260,2.020],
"number_observations": 277678,
"number_observations_unique": 30176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"number_observations": 21684,
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.821
},
{
"type": "R(meas)",
"value": 2.976
},
{
"type": "R(pim)",
"value": 0.937
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.641
}
]
},
{
"resolution_limits": [50.260,9.030],
"number_observations": 3471,
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 42.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}