Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "544a3c7346d833ce47cbcd35dbd9665c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 123.262,
"b": 88.248,
"c": 77.046,
"alpha": 90.00,
"beta": 109.76,
"gamma": 90.00
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.320,3.130],
"number_observations": 69003,
"number_observations_unique": 13416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.130],
"number_observations": 3476,
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.871
},
{
"type": "R(meas)",
"value": 5.488
},
{
"type": "R(pim)",
"value": 2.466
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 80.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.353
}
]
},
{
"resolution_limits": [27.320,14.010],
"number_observations": 709,
"number_observations_unique": 148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}