Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e635b44419ec11d19bb9ec815eb0b0c3",
"space_group_name": "P 1",
"unit_cell": {
"a": 80.274,
"b": 80.839,
"c": 179.840,
"alpha": 101.17,
"beta": 91.67,
"gamma": 117.25
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [174.820,1.870],
"number_observations": 2129682,
"number_observations_unique": 313786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.870],
"number_observations": 104836,
"number_observations_unique": 15389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.543
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [174.820,10.240],
"number_observations": 11246,
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 43.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}