Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cbe2da6618ca8bdcd57ce70817906ac9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 63.175,
"b": 67.115,
"c": 121.123,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.000,1.900],
"number_observations": 88985,
"number_observations_unique": 19947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 5751,
"number_observations_unique": 1268,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.573
},
{
"type": "R(meas)",
"value": 1.776
},
{
"type": "R(pim)",
"value": 0.799
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [46.000,9.110],
"number_observations": 726,
"number_observations_unique": 173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
}
]
}