Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8358db03578b0fc9b17d30cfa60c1fff",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 103.16,
"b": 103.16,
"c": 97.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.940,2.600],
"number_observations": 140737,
"number_observations_unique": 8390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 17109,
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.900
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [72.940,9.010],
"number_observations": 3389,
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}