Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b0f60f0679bf849b30a9aa6af476ec8a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.90,
"b": 100.25,
"c": 134.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.720,2.100],
"number_observations": 364377,
"number_observations_unique": 48058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 26595,
"number_observations_unique": 3677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [55.720,8.910],
"number_observations": 5819,
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}