Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea79de4b89991e5a941672d6d8e45f49",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 66.317,
"b": 66.317,
"c": 331.607,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.250],
"number_observations_unique": 20422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.250],
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "Completeness",
"value": 54.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "Completeness",
"value": 82.700
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.530,2.420],
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [2.670,2.530],
"number_observations_unique": 2133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.830,2.670],
"number_observations_unique": 2122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [3.050,2.830],
"number_observations_unique": 2159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [3.360,3.050],
"number_observations_unique": 2165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
{
"resolution_limits": [3.850,3.360],
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.100
}
]
},
{
"resolution_limits": [4.850,3.850],
"number_observations_unique": 2234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
{
"resolution_limits": [50.000,4.850],
"number_observations_unique": 2475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.200
}
]
}
]
}