Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f49bcf31e7e2211d4b116b960edba619",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.42,
"b": 81.42,
"c": 135.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.870,2.100],
"number_observations": 612806,
"number_observations_unique": 30951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 45562,
"number_observations_unique": 2249,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.585
},
{
"type": "R(meas)",
"value": 1.626
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.300
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [34.870,9.390],
"number_observations": 5702,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 58.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}