Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acc7d17c4a483a0b59fd0f8ecd506947",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.597,
"b": 71.597,
"c": 150.908,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,1.600],
"number_observations": 681027,
"number_observations_unique": 52779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 28800,
"number_observations_unique": 2522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.913
},
{
"type": "R(meas)",
"value": 0.955
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [29.480,8.760],
"number_observations": 4396,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 73.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}