Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea0eda9a5f9fed1a60e64973cb82f150",
"space_group_name": "P 1",
"unit_cell": {
"a": 63.23,
"b": 82.18,
"c": 93.18,
"alpha": 66.74,
"beta": 89.26,
"gamma": 89.34
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.310,2.150],
"number_observations": 325221,
"number_observations_unique": 91233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 25025,
"number_observations_unique": 6740,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.650
},
{
"type": "R(meas)",
"value": 1.930
},
{
"type": "R(pim)",
"value": 0.996
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.353
}
]
},
{
"resolution_limits": [48.310,9.620],
"number_observations": 3580,
"number_observations_unique": 957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.200
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}