Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f06d73c0b921da7bf3921f760686ab3f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.650,
"b": 26.930,
"c": 55.637,
"alpha": 90.00,
"beta": 100.18,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.750,1.210],
"number_observations": 89125,
"number_observations_unique": 33987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.210],
"number_observations": 1251,
"number_observations_unique": 998,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.222
},
{
"type": "R(meas)",
"value": 1.690
},
{
"type": "R(pim)",
"value": 1.164
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 56.200
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.267
}
]
},
{
"resolution_limits": [54.750,6.630],
"number_observations": 779,
"number_observations_unique": 258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}