Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "005015e877af44e4027819e742e4d6ba",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.18,
"b": 153.05,
"c": 164.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.950,2.450],
"number_observations": 1025494,
"number_observations_unique": 74987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations": 72568,
"number_observations_unique": 5470,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.210
},
{
"type": "R(meas)",
"value": 2.297
},
{
"type": "R(pim)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
},
{
"resolution_limits": [55.950,10.960],
"number_observations": 11476,
"number_observations_unique": 957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 72.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}