Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4274fb84b71f09a877ad6660fb31ddf6",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.176,
"b": 70.115,
"c": 85.502,
"alpha": 102.84,
"beta": 96.42,
"gamma": 112.11
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.340,1.860],
"number_observations": 328052,
"number_observations_unique": 98213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.860],
"number_observations": 13372,
"number_observations_unique": 4690,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.040
},
{
"type": "R(meas)",
"value": 2.543
},
{
"type": "R(pim)",
"value": 1.483
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.247
}
]
},
{
"resolution_limits": [81.340,10.170],
"number_observations": 2360,
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}