Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65bd701a370b5dafae7158ab9e39f3fe",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.639,
"b": 40.538,
"c": 57.114,
"alpha": 83.342,
"beta": 76.792,
"gamma": 79.559
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.4523,2.20],
"number_observations_unique": 15370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 0.939
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.240
},
{
"type": "R(meas)",
"value": 1.546
},
{
"type": "R(pim)",
"value": 0.903
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.225
}
]
},
{
"resolution_limits": [55.430,9.070],
"number_observations_unique": 225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
}
]
}