Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1e3c25477b75f63028cb4f7bb7d62de",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.233,
"b": 112.401,
"c": 62.425,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.370,1.200],
"number_observations_unique": 89941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 55909,
"number_observations_unique": 4344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [66.370,6.570],
"number_observations": 7136,
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 88.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
}
]
}