Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "405531bd2ff0119439156e60c767ddd0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.038,
"b": 59.263,
"c": 116.253,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.390],
"number_observations_unique": 61166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations_unique": 2622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "Completeness",
"value": 81.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.440,1.410],
"number_observations_unique": 2657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.470,1.440],
"number_observations_unique": 2726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 85.800
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.500,1.470],
"number_observations_unique": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 2883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.570,1.530],
"number_observations_unique": 2931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.600,1.570],
"number_observations_unique": 2986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.650,1.600],
"number_observations_unique": 3053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.700,1.650],
"number_observations_unique": 3058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.750,1.700],
"number_observations_unique": 3096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.810,1.750],
"number_observations_unique": 3123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations_unique": 3137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.970,1.890],
"number_observations_unique": 3179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.080,1.970],
"number_observations_unique": 3183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.210,2.080],
"number_observations_unique": 3207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.380,2.210],
"number_observations_unique": 3224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.620,2.380],
"number_observations_unique": 3237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.990,2.620],
"number_observations_unique": 3266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [3.770,2.990],
"number_observations_unique": 3339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [50.000,3.770],
"number_observations_unique": 3493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
}
]
}