Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae73ab6b5df9acbb09c1e614b227daf9",
"space_group_name": "P 6",
"unit_cell": {
"a": 82.721,
"b": 82.721,
"c": 64.066,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99984],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.76,1.58],
"number_observations_unique": 32755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 22.8
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [47.76,8.66],
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 74.3
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 9.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.61,1.58],
"number_observations_unique": 1211,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.013
},
{
"type": "R(meas)",
"value": 2.503
},
{
"type": "R(pim)",
"value": 1.458
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 71.3
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.258
}
]
}
]
}