Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea2e83167d66d606ea698522ebfc7b7c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.29,
"b": 111.78,
"c": 63.11,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.34,2.100],
"number_observations_unique": 17095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 17.640
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.93
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 3.950
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.500,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.000,2.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 11.840
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.000,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.000,4.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 41.680
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [10.000,6.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 46.990
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [19.344,10.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 60.130
},
{
"type": "Completeness",
"value": 83.500
}
]
}
]
}