Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0231ef50ad2d4f1f54c36b0ece8845f5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.740,
"b": 114.968,
"c": 116.548,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.000,2.100],
"number_observations_unique": 60372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 2273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "Completeness",
"value": 68.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 2492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 74.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 2692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 81.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 2941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 3013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 3083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 3121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 3168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 3146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 3148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 3148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 3147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 3143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 3128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 3134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 3115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 3104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 3106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 3106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [44.000,5.700],
"number_observations_unique": 3164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}