Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f3aa4a477c36d61d755fefb850b5a03",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 219.323,
"b": 219.323,
"c": 148.556,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.820,2.800],
"number_observations": 1766865,
"number_observations_unique": 85483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 20.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations": 66508,
"number_observations_unique": 4260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.898
},
{
"type": "R(meas)",
"value": 0.928
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [48.820,14.820],
"number_observations": 16527,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 24.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}