Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eede81d6e51877feb4f05f4bf790366f",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.089,
"b": 94.089,
"c": 33.340,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.044,2.300],
"number_observations_unique": 7763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 10911,
"number_observations_unique": 764,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.191
},
{
"type": "R(meas)",
"value": 1.235
},
{
"type": "R(pim)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [47.040,8.910],
"number_observations": 2449,
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 15.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}