Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d192d446bd4233cfda52adbd0c0ad6d",
"space_group_name": "P 61",
"unit_cell": {
"a": 85.762,
"b": 85.762,
"c": 97.414,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.250],
"number_observations_unique": 19213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.250],
"number_observations_unique": 1909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.530,2.420],
"number_observations_unique": 1914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.670,2.530],
"number_observations_unique": 1915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.830,2.670],
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [3.050,2.830],
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [3.360,3.050],
"number_observations_unique": 1902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [3.850,3.360],
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [4.850,3.850],
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [50.000,4.850],
"number_observations_unique": 1962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.800
}
]
}
]
}