Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce86a2e603ee92ade40b7188b93d9ee3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 92.795,
"b": 105.954,
"c": 164.191,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [164.190,2.900],
"number_observations": 233566,
"number_observations_unique": 36674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [3.030,2.900],
"number_observations_unique": 4407,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.029
},
{
"type": "R(meas)",
"value": 1.117
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.452
}
]
},
{
"resolution_limits": [164.190,10.050],
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
}
]
}