Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f0fc8373e9357efac7e1da14e998d6a",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 78.876,
"b": 78.876,
"c": 233.629,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.39,1.39],
"number_observations_unique": 56723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 19.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.41,1.39],
"number_observations_unique": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.137
},
{
"type": "R(meas)",
"value": 1.269
},
{
"type": "R(pim)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [44.39,7.61],
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 53.2
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}