Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "cd016de8e4d53be5718200c1692cf458",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.46,
"b": 66.05,
"c": 67.56,
"alpha": 101.81,
"beta": 88.60,
"gamma": 111.28
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.029,1.25],
"number_observations_unique": 191790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [66.029,4.974],
"number_observations_unique": 3836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 63.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.281,1.25],
"number_observations_unique": 3837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.946
},
{
"type": "R(meas)",
"value": 1.112
},
{
"type": "R(pim)",
"value": 0.58
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 59.3
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.608
}
]
}
]
}