Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c7e09bf90a90fd064e34c6cb4cd220cc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.68,
"b": 93.80,
"c": 93.22,
"alpha": 90.0,
"beta": 107.7,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.950,1.730],
"number_observations": 334925,
"number_observations_unique": 97543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.730],
"number_observations": 21915,
"number_observations_unique": 7105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.941
},
{
"type": "R(meas)",
"value": 1.142
},
{
"type": "R(pim)",
"value": 0.637
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [54.950,7.740],
"number_observations": 4108,
"number_observations_unique": 1145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 50.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}