Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dfd234e3091e4df49e5347ba641c5459",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.881,
"b": 70.881,
"c": 149.924,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.200,1.890],
"number_observations": 404849,
"number_observations_unique": 31508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 25175,
"number_observations_unique": 2077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.911
},
{
"type": "R(meas)",
"value": 0.950
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [29.200,8.860],
"number_observations": 3964,
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}