Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32df3cf34a9309b7181bbcf69e1c58d8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 91.94,
"b": 95.47,
"c": 172.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.220,1.750],
"number_observations": 492160,
"number_observations_unique": 76022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 36500,
"number_observations_unique": 5501,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.681
},
{
"type": "R(pim)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [66.220,7.830],
"number_observations": 5530,
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}