Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5333b7da3d599bcea558e040ff0fbb1e",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 101.175,
"b": 101.175,
"c": 46.303,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98013],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.820,1.690],
"number_observations": 194217,
"number_observations_unique": 10271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.690],
"number_observations": 27234,
"number_observations_unique": 1493,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.767
},
{
"type": "R(meas)",
"value": 1.817
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [31.820,5.340],
"number_observations": 6054,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}