Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a34d2a78612a2fd76c4673f435d76eb",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.296,
"b": 69.150,
"c": 334.009,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [111.340,1.590],
"number_observations": 367334,
"number_observations_unique": 100179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.590],
"number_observations": 53196,
"number_observations_unique": 14562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [111.340,5.030],
"number_observations": 12275,
"number_observations_unique": 3401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 63.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}