Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebe574d301a38e3810745e2eb2b804ca",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 82.919,
"b": 82.919,
"c": 68.639,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.37780],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.620,1.450],
"number_observations": 1592101,
"number_observations_unique": 48623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.450],
"number_observations": 226368,
"number_observations_unique": 7019,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.335
},
{
"type": "R(meas)",
"value": 1.356
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.300
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [49.620,4.590],
"number_observations": 51964,
"number_observations_unique": 1665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 127.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 31.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}