Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3e9a26d58641f8654e6ce8a0558c599",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.169,
"b": 71.169,
"c": 150.352,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.310,1.480],
"number_observations": 844855,
"number_observations_unique": 65118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.480],
"number_observations": 41196,
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.817
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [29.310,7.840],
"number_observations": 5751,
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 80.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}