Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9019fe957d6b73f7b3a4215d89dc4c16",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 61.386,
"b": 42.952,
"c": 108.655,
"alpha": 90.00,
"beta": 105.95,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.24,1.65],
"number_observations": 213919,
"number_observations_unique": 33009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 50.6
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [52.24,8.89],
"number_observations_unique": 237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}