Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9f4becffbbf74c32f6bbcf9aad132ea",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.534,
"b": 27.235,
"c": 55.707,
"alpha": 90.00,
"beta": 100.18,
"gamma": 90.00
},
"wavelengths": [0.91270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.840,1.140],
"number_observations": 93106,
"number_observations_unique": 37488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 568,
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.112
},
{
"type": "R(meas)",
"value": 1.573
},
{
"type": "R(pim)",
"value": 1.112
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 24.200
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
},
{
"resolution_limits": [54.840,6.240],
"number_observations": 817,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}