Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1773d92c526ca20d94f6411a8e877c1f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.200,
"b": 76.843,
"c": 128.079,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 42959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.180,2.140],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.220,2.180],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.260,2.220],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.310,2.260],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.370,2.310],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.420,2.370],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.490,2.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.560,2.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.650,2.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.740,2.650],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.850,2.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.980,2.850],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.140,2.980],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.330,3.140],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.590,3.330],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.950,3.590],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.520,3.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [5.700,4.520],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [50.000,5.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
}
]
}