Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf05aae1c70c3d366702c0650bf59211",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 82.607,
"b": 82.607,
"c": 170.071,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99986],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.430,2.860],
"number_observations_unique": 8526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.010,2.860],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(meas)",
"value": 1.095
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [44.430,9.040],
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}