Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ff30aaaa31f73758c8c977c5acdfeb95",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.471,
"b": 57.658,
"c": 62.275,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.47,1.09],
"number_observations_unique": 54684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [31.47,5.97],
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 20.7
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.11,1.09],
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.855
},
{
"type": "R(meas)",
"value": 1.065
},
{
"type": "R(pim)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 86.3
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
}
]
}