Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc00f7ccb543b731f3ea8b56a58fd638",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 93.45,
"b": 94.74,
"c": 72.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.530,1.977],
"number_observations": 148664,
"number_observations_unique": 22860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.011,1.977],
"number_observations": 7258,
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.817
},
{
"type": "R(meas)",
"value": 0.890
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [66.530,5.365],
"number_observations": 7093,
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 55.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}