Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "cfbb5501fe5aedfba163bb28adca99cb",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.73,
"b": 81.73,
"c": 135.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.030,1.980],
"number_observations": 716153,
"number_observations_unique": 37072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 54145,
"number_observations_unique": 2679,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.778
},
{
"type": "R(meas)",
"value": 1.824
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [27.030,8.850],
"number_observations": 6260,
"number_observations_unique": 466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 51.500
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}