Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20c06377aeddd90d9245b45e69d745e5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.071,
"b": 65.515,
"c": 84.326,
"alpha": 90.0,
"beta": 93.2,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.950,1.990],
"number_observations": 173050,
"number_observations_unique": 51725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 12182,
"number_observations_unique": 3834,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.160
},
{
"type": "R(meas)",
"value": 1.398
},
{
"type": "R(pim)",
"value": 0.772
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.356
}
]
},
{
"resolution_limits": [68.950,8.900],
"number_observations": 2083,
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}