Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a77132eaee1a8b7cfdea8c14d30bbb1",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 77.29,
"b": 77.29,
"c": 71.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.650,1.600],
"number_observations": 358647,
"number_observations_unique": 29281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 21643,
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.387
},
{
"type": "R(meas)",
"value": 2.515
},
{
"type": "R(pim)",
"value": 0.785
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [71.650,7.160],
"number_observations": 4306,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}