Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e7b8cf1c96c5877715fef044fe6b0c6",
"space_group_name": "H 3",
"unit_cell": {
"a": 39.779,
"b": 39.779,
"c": 34.900,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97240],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0,1.470],
"number_observations_unique": 3488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 24.1
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations_unique": 169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 2.1
}
]
},
{
"resolution_limits": [1.520,1.500],
"number_observations_unique": 179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [1.550,1.520],
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [1.660,1.620],
"number_observations_unique": 177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [1.700,1.660],
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [1.740,1.700],
"number_observations_unique": 168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations_unique": 170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations_unique": 185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [1.990,1.920],
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 2.1
}
]
},
{
"resolution_limits": [2.090,1.990],
"number_observations_unique": 164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [2.200,2.090],
"number_observations_unique": 184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [2.330,2.200],
"number_observations_unique": 180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [2.510,2.330],
"number_observations_unique": 176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [2.770,2.510],
"number_observations_unique": 167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [3.170,2.770],
"number_observations_unique": 175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [3.990,3.170],
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 12.5
}
]
},
{
"resolution_limits": [30.000,3.990],
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.8
}
]
}
]
}