Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b0f860c171a18a2a2afff41cd740e82",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.39,
"b": 58.62,
"c": 64.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98081,3.35000,4.35000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.0,1.03],
"number_observations_unique": 70173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 35.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.06,1.03],
"number_observations_unique": 5138,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.357
},
{
"type": "R(pim)",
"value": 0.933
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.355
}
]
},
{
"resolution_limits": [1.9,1.8],
"number_observations_unique": 1177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 67.1
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
}
]
}