Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5bd79ef41662f61f44419bd954df913",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 106.733,
"b": 106.733,
"c": 233.039,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.520,2.210],
"number_observations": 1184544,
"number_observations_unique": 67798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.210],
"number_observations": 50856,
"number_observations_unique": 4280,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.242
},
{
"type": "R(meas)",
"value": 1.297
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [48.520,10.370],
"number_observations": 11154,
"number_observations_unique": 786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 54.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}