Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec9d7563e54563f36d48d285c7e05c47",
"space_group_name": "P 1",
"unit_cell": {
"a": 37.99,
"b": 78.89,
"c": 85.14,
"alpha": 113.59,
"beta": 92.78,
"gamma": 101.68
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.610,2.800],
"number_observations": 66134,
"number_observations_unique": 19572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 10087,
"number_observations_unique": 2952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.455
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [43.610,8.850],
"number_observations": 2215,
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}