Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a5098df434b10e3db52ba3e3a3ecec3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.76,
"b": 117.12,
"c": 123.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [3.02400,3.35090,4.27530,4.76860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.114,1.97],
"number_observations_unique": 49942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.8
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "Redundancy",
"value": 15.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [84.97,9.04],
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Redundancy",
"value": 22.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.02,1.97],
"number_observations_unique": 2550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
}
]
}