Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ef862b07f8d45fa9deb27cd44b60dd4",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.557,
"b": 94.557,
"c": 33.174,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.890,2.100],
"number_observations": 181746,
"number_observations_unique": 10169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 9690,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.254
},
{
"type": "R(meas)",
"value": 1.311
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [81.890,8.910],
"number_observations": 2302,
"number_observations_unique": 156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 62.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}