Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf2aa06e81d30a0701a36ae3a09500bc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.504,
"b": 49.633,
"c": 59.903,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.82656],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.630,0.850],
"number_observations": 630447,
"number_observations_unique": 111218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.860,0.850],
"number_observations": 13473,
"number_observations_unique": 4072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.813
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "R(pim)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 72.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [49.630,4.650],
"number_observations": 4900,
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 68.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}