Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e04244d98bce34973285c73cefc0f7c2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 4.72,
"b": 11.56,
"c": 39.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.01970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [7.474,1.000],
"number_observations": 2878,
"number_observations_unique": 1029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 2.870
},
{
"type": "Completeness",
"value": 74.400
},
{
"type": "Redundancy",
"value": 2.797
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.000],
"number_observations": 1074,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 70.900
},
{
"type": "Redundancy",
"value": 2.685
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [1.500,1.200],
"number_observations": 853,
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 2.890
},
{
"type": "Completeness",
"value": 76.800
},
{
"type": "Redundancy",
"value": 2.921
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [2.000,1.500],
"number_observations": 553,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 4.030
},
{
"type": "Completeness",
"value": 79.100
},
{
"type": "Redundancy",
"value": 2.973
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
{
"resolution_limits": [2.300,2.000],
"number_observations": 150,
"number_observations_unique": 55,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 4.080
},
{
"type": "Completeness",
"value": 76.400
},
{
"type": "Redundancy",
"value": 2.727
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [3.000,2.300],
"number_observations": 142,
"number_observations_unique": 51,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 4.460
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 2.784
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [5.000,3.000],
"number_observations": 92,
"number_observations_unique": 38,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 4.290
},
{
"type": "Completeness",
"value": 73.100
},
{
"type": "Redundancy",
"value": 2.421
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [8.000,5.000],
"number_observations": 14,
"number_observations_unique": 7,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 77.800
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [7.474,8.000],
"quality_factors": [
]
}
]
}