Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b87819a47a7eeb6ecdefed32e5e144f",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 95.569,
"b": 95.569,
"c": 231.428,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.77,1.61],
"number_observations_unique": 158994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [82.77,8.82],
"number_observations_unique": 1129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 48.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.64,1.61],
"number_observations_unique": 7793,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.346
},
{
"type": "R(meas)",
"value": 2.563
},
{
"type": "R(pim)",
"value": 1.027
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.461
}
]
}
]
}