Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27e6e74799765dc4101df01e042a60ed",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 78.854,
"b": 78.854,
"c": 233.369,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.36,1.65],
"number_observations_unique": 34102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [44.36,9.04],
"number_observations_unique": 242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 30.7
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.469
},
{
"type": "R(meas)",
"value": 2.752
},
{
"type": "R(pim)",
"value": 1.203
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.339
}
]
}
]
}