Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5407dbce6c387e3a5be891d21d1b7df3",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 72.854,
"b": 140.984,
"c": 145.962,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.720,2.250],
"number_observations": 191098,
"number_observations_unique": 35985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.250],
"number_observations": 18009,
"number_observations_unique": 3268,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.315
},
{
"type": "R(meas)",
"value": 1.451
},
{
"type": "R(pim)",
"value": 0.600
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [64.720,9.000],
"number_observations": 3111,
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}