Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8021a6f4a3faf8562e91c2e3b92e306b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.507,
"b": 96.794,
"c": 58.018,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,1.710],
"number_observations": 165803,
"number_observations_unique": 25446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 6822,
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.891
},
{
"type": "R(meas)",
"value": 0.979
},
{
"type": "R(pim)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [29.010,9.040],
"number_observations": 1250,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 66.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}