Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b239fb4408c4f651a9811dce8e0d132",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 93.81,
"b": 109.22,
"c": 150.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.600],
"number_observations_unique": 187320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 21.290
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 170828,
"number_observations_unique": 30461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 3.610
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.810,1.690],
"number_observations": 183041,
"number_observations_unique": 31868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 6.440
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.950,1.810],
"number_observations": 97584,
"number_observations_unique": 17867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 9.370
},
{
"type": "Completeness",
"value": 63.900
}
]
},
{
"resolution_limits": [2.140,1.950],
"number_observations": 157110,
"number_observations_unique": 27190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 18.220
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.390,2.140],
"number_observations": 104571,
"number_observations_unique": 18583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 25.730
},
{
"type": "Completeness",
"value": 77.600
}
]
},
{
"resolution_limits": [2.760,2.390],
"number_observations": 123954,
"number_observations_unique": 21442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 33.580
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.380,2.760],
"number_observations": 103524,
"number_observations_unique": 18117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 41.010
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.780,3.380],
"number_observations": 77199,
"number_observations_unique": 13999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 46.960
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [50.000,4.780],
"number_observations": 42524,
"number_observations_unique": 7793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 52.850
},
{
"type": "Completeness",
"value": 96.600
}
]
}
]
}