Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65454bd1d39d78932aa5f80056d1de0f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 89.084,
"b": 113.159,
"c": 129.758,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.74300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.220],
"number_observations": 432332,
"number_observations_unique": 62899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 2741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.928
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.300,2.260],
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 3046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.390,2.340],
"number_observations_unique": 3091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.761
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.440,2.390],
"number_observations_unique": 3049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.637
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.500,2.440],
"number_observations_unique": 3093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.560,2.500],
"number_observations_unique": 3094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.630,2.560],
"number_observations_unique": 3108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.710,2.630],
"number_observations_unique": 3123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations_unique": 3105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.900,2.800],
"number_observations_unique": 3170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.010,2.900],
"number_observations_unique": 3156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.150,3.010],
"number_observations_unique": 3169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations_unique": 3178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.520,3.320],
"number_observations_unique": 3232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.800,3.520],
"number_observations_unique": 3214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.180,3.800],
"number_observations_unique": 3253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.780,4.180],
"number_observations_unique": 3288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [6.020,4.780],
"number_observations_unique": 3332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [50.000,6.020],
"number_observations_unique": 3503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}