Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "222c30e23565463ec8fcc393a81e7dae",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.542,
"b": 56.570,
"c": 101.867,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.460,1.570],
"number_observations": 282348,
"number_observations_unique": 45586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.570],
"number_observations": 36281,
"number_observations_unique": 6563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.605
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [49.460,4.960],
"number_observations": 10788,
"number_observations_unique": 1610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}