Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "656d9bb8d197329c981e443e1ecd66a0",
"space_group_name": "P 1",
"unit_cell": {
"a": 47.24,
"b": 56.02,
"c": 56.11,
"alpha": 106.69,
"beta": 97.49,
"gamma": 83.40
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.481,1.872],
"number_observations": 82827,
"number_observations_unique": 42132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.904,1.872],
"number_observations": 3906,
"number_observations_unique": 2038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.451
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [53.481,5.081],
"number_observations": 4115,
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}