Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e78b145f9a74dfd4773f87cc38eefe37",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 59.833,
"b": 59.833,
"c": 110.267,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.270,1.810],
"number_observations": 236757,
"number_observations_unique": 18807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations": 16913,
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.516
},
{
"type": "R(meas)",
"value": 4.707
},
{
"type": "R(pim)",
"value": 1.311
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [110.270,8.090],
"number_observations": 2907,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}