Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d009c85161fac43774c4e1bca0fc2db",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.508,
"b": 67.258,
"c": 138.892,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.410,2.290],
"number_observations": 195842,
"number_observations_unique": 29275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.290],
"number_observations": 19516,
"number_observations_unique": 2821,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.415
},
{
"type": "R(meas)",
"value": 4.774
},
{
"type": "R(pim)",
"value": 1.802
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.320
}
]
},
{
"resolution_limits": [69.410,8.870],
"number_observations": 3298,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 51.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
}
]
}