Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c51e088603eb8c3244d411fda3eb238",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.17,
"b": 127.93,
"c": 80.19,
"alpha": 90.00,
"beta": 101.22,
"gamma": 90.00
},
"wavelengths": [0.97264],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.658,1.807],
"number_observations_unique": 118149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.838,1.807],
"number_observations_unique": 5948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.901
},
{
"type": "R(pim)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [78.658,4.905],
"number_observations_unique": 5994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 28.8
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}