Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db49b5a36f24df93ffb538d9fda651ce",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 42.680,
"b": 42.680,
"c": 266.236,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.373,2.200],
"number_observations_unique": 8245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 17870,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.835
},
{
"type": "R(meas)",
"value": 3.910
},
{
"type": "R(pim)",
"value": 0.755
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.400
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [44.370,9.070],
"number_observations": 2845,
"number_observations_unique": 185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 67.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}