Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8301e02a86a2cd72e93d41f5e776abe",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 67.36,
"b": 114.89,
"c": 92.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.897,2.100],
"number_observations_unique": 18990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 21.840
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.270
},
{
"type": "Completeness",
"value": 69.300
}
]
},
{
"resolution_limits": [2.210,2.150],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 3.330
},
{
"type": "Completeness",
"value": 77.400
}
]
},
{
"resolution_limits": [2.280,2.210],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 7.300
}
]
},
{
"resolution_limits": [2.350,2.280],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 5.650
},
{
"type": "Completeness",
"value": 87.900
}
]
},
{
"resolution_limits": [2.420,2.350],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 7.060
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.510,2.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 8.370
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.600,2.510],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 10.350
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.710,2.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 12.080
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.830,2.710],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.890
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.970,2.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 18.350
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.130,2.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 22.790
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.320,3.130],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.550,3.320],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 35.750
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [3.830,3.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 42.410
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [4.200,3.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 47.970
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [4.700,4.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 52.340
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [5.420,4.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 52.170
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [6.640,5.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 51.850
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [9.390,6.640],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 58.200
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [19.897,9.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 59.550
},
{
"type": "Completeness",
"value": 85.800
}
]
}
]
}