Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c21b9d6c38780d2eb597435a7c35558d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.810,
"b": 103.841,
"c": 152.620,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.71080],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.810,2.200],
"number_observations_unique": 45167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 3862,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.980
},
{
"type": "R(meas)",
"value": 4.143
},
{
"type": "R(pim)",
"value": 1.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.200
}
]
},
{
"resolution_limits": [54.810,9.070],
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}