Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba5a6ef598be5eee417305ca9ec9f419",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.066,
"b": 58.538,
"c": 60.015,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.550],
"number_observations_unique": 27508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 2618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 2648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 2632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 2680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations_unique": 2726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 2729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.320,2.100],
"number_observations_unique": 2788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.650,2.320],
"number_observations_unique": 2807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.340,2.650],
"number_observations_unique": 2869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [50.000,3.340],
"number_observations_unique": 3011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}