Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d25f0cf306c055ee2ee2642cb8675f10",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.94,
"b": 48.94,
"c": 56.19,
"alpha": 107.04,
"beta": 109.79,
"gamma": 97.26
},
"wavelengths": [0.97776],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.630,2.420],
"number_observations": 46693,
"number_observations_unique": 13319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.420],
"number_observations": 5138,
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.740
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [28.630,9.050],
"number_observations": 1029,
"number_observations_unique": 288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}