Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "634de7c60f09c774273c7645c6637bce",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 75.393,
"b": 99.029,
"c": 207.952,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.170,2.100],
"number_observations": 302969,
"number_observations_unique": 80206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 16836,
"number_observations_unique": 4644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [48.170,10.710],
"number_observations": 2434,
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 80.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}