Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06124405264041580ab8b7b7d669ce4e",
"space_group_name": "P 42",
"unit_cell": {
"a": 80.03,
"b": 80.03,
"c": 90.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.94,1.60],
"number_observations_unique": 74724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [19.94,8.76],
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 27.0
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.63,1.60],
"number_observations_unique": 3721,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.002
},
{
"type": "R(meas)",
"value": 1.078
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
}
]
}