Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "caa625e254f257f9d3a248e565d700a1",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.819,
"b": 57.819,
"c": 396.678,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [198.300,1.940],
"number_observations": 564205,
"number_observations_unique": 30877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 42357,
"number_observations_unique": 2196,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.033
},
{
"type": "R(meas)",
"value": 4.142
},
{
"type": "R(pim)",
"value": 0.937
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.511
}
]
},
{
"resolution_limits": [198.300,8.680],
"number_observations": 7026,
"number_observations_unique": 497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}