Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9cab3e8301b229a30235cf34289463b9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.459,
"b": 47.361,
"c": 151.933,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.65,1.06],
"number_observations_unique": 130575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.09,1.06],
"number_observations_unique": 7488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.620
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 77.3
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [29.65,4.74],
"number_observations_unique": 1699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 26.1
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}