Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ce9e1c30990f673f67840e39c9939f5",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 93.488,
"b": 93.488,
"c": 129.558,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97264],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.740,1.170],
"number_observations": 994505,
"number_observations_unique": 111781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.170],
"number_observations": 86021,
"number_observations_unique": 10625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.867
},
{
"type": "R(meas)",
"value": 0.926
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [46.740,4.530],
"number_observations": 18065,
"number_observations_unique": 2170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}