Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "551c3c17a98ecf4589a25b5ba1497627",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 53.381,
"b": 53.381,
"c": 280.740,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.230,2.680],
"number_observations": 79211,
"number_observations_unique": 13571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.810,2.680],
"number_observations": 8949,
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.897
},
{
"type": "R(meas)",
"value": 8.684
},
{
"type": "R(pim)",
"value": 3.507
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.262
}
]
},
{
"resolution_limits": [46.230,8.880],
"number_observations": 1923,
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}