Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa492d46ab07630a3adeb14dba6c8cf0",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 86.797,
"b": 86.797,
"c": 1046.530,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.63,2.800],
"number_observations_unique": 38761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0167
},
{
"type": "R(meas)",
"value": 0.02361
},
{
"type": "I/SigI",
"value": 15.77
},
{
"type": "Completeness",
"value": 99.48
},
{
"type": "Redundancy",
"value": 2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.920,2.800],
"number_observations": 45921,
"number_observations_unique": 4588,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.489
},
{
"type": "R(meas)",
"value": 1.571
},
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [49.340,9.700],
"number_observations": 8717,
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 45.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}