Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02f6690088a28d60af250175f66d4c39",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.045,
"b": 47.136,
"c": 46.473,
"alpha": 90.0,
"beta": 103.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.140,1.590],
"number_observations": 47530,
"number_observations_unique": 14718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 2171,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [47.140,8.710],
"number_observations": 329,
"number_observations_unique": 100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}