Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3e622a8318f2549c2cf69677286e080",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.19,
"b": 94.32,
"c": 154.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.480,2.780],
"number_observations": 80167,
"number_observations_unique": 15712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.930,2.780],
"number_observations": 12616,
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(pim)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [80.480,8.780],
"number_observations": 2508,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}