Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d74d0064d33026d72c21c26ae97c7f0c",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 119.036,
"b": 179.360,
"c": 233.231,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.57,2.63],
"number_observations": 313206,
"number_observations_unique": 73884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.68,2.63],
"number_observations": 16722,
"number_observations_unique": 4376,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.206
},
{
"type": "R(meas)",
"value": 3.705
},
{
"type": "R(pim)",
"value": 1.812
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.091
}
]
}
]
}