Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a9e7bb453ed86a8cf8a0781aafe8b22",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.16,
"b": 156.40,
"c": 76.00,
"alpha": 90.00,
"beta": 102.82,
"gamma": 90.00
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.5,3.000],
"number_observations_unique": 31073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 9.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 23.7
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.026
},
{
"type": "I/SigI",
"value": 3.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.82
}
]
},
{
"resolution_limits": [3.160,3.080],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.250,3.160],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.949
},
{
"type": "I/SigI",
"value": 4.210
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.350,3.250],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.868
},
{
"type": "I/SigI",
"value": 4.730
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.460,3.350],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "I/SigI",
"value": 5.110
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.590,3.460],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 5.630
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.720,3.590],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "I/SigI",
"value": 6.850
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.870,3.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.050,3.870],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 8.370
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.240,4.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 9.690
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.470,4.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.740,4.470],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 13.030
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [5.070,4.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 13.950
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.480,5.070],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 13.320
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.000,5.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 12.090
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.710,6.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 12.860
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.750,6.710],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 17.490
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [9.490,7.750],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 26.740
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [13.420,9.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 33.560
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [45.5,13.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 96.000
}
]
}
]
}