Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c0786afea563933a599fd9fb25b4856",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 64.999,
"b": 64.999,
"c": 152.881,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.0,1.900],
"number_observations_unique": 29688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 19.160
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 16.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "I/SigI",
"value": 4.140
},
{
"type": "Completeness",
"value": 81.300
}
]
},
{
"resolution_limits": [2.000,1.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 5.030
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.060,2.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "I/SigI",
"value": 6.070
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.120,2.060],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 6.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.190,2.120],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 7.880
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.270,2.190],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 95.200
}
]
},
{
"resolution_limits": [2.360,2.270],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 8.720
},
{
"type": "Completeness",
"value": 93.300
}
]
},
{
"resolution_limits": [2.450,2.360],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 12.980
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.560,2.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 14.370
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.690,2.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 17.370
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.830,2.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 20.630
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 25.130
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.210,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 31.730
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.470,3.210],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.800,3.470],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 39.080
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.250,3.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 43.950
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.910,4.250],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 49.570
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.010,4.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 48.960
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [8.500,6.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 48.140
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [45.0,8.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 55.040
},
{
"type": "Completeness",
"value": 98.500
}
]
}
]
}