Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ede8f07907759bdcd29e1bc7f15feaa",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 67.711,
"b": 131.852,
"c": 66.634,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.490,1.420],
"number_observations": 699436,
"number_observations_unique": 111168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.420],
"number_observations": 17631,
"number_observations_unique": 4845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "R(meas)",
"value": 0.964
},
{
"type": "R(pim)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [47.490,7.800],
"number_observations": 4762,
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 53.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}