Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c28366c6d8e5fc31f90d4d187f3e1d78",
"space_group_name": "P 61",
"unit_cell": {
"a": 102.746,
"b": 102.746,
"c": 181.335,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,4.000],
"number_observations_unique": 9061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
"refln_shells": [
{
"resolution_limits": [4.14,4.00],
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.667
},
{
"type": "Completeness",
"value": 93.30
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [4.31,4.14],
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "Completeness",
"value": 95.10
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [4.50,4.31],
"number_observations_unique": 878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [4.74,4.50],
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [5.04,4.74],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [5.42,5.04],
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [5.96,5.42],
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.60
}
]
},
{
"resolution_limits": [6.82,5.96],
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.70
}
]
},
{
"resolution_limits": [8.56,6.82],
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [30.00,8.56],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.00
}
]
}
]
}