Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "adab286e2cb6ee3ed375d8fdcf0f1a0c",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 58.030,
"b": 58.030,
"c": 396.047,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [198.040,1.580],
"number_observations": 972350,
"number_observations_unique": 54689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 17.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 56765,
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.845
},
{
"type": "R(meas)",
"value": 1.913
},
{
"type": "R(pim)",
"value": 0.497
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 14.700
},
{
"type": "CC(1/2)",
"value": 0.573
}
]
},
{
"resolution_limits": [198.040,7.070],
"number_observations": 12327,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 15.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}