Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8972969bf244c3dd02d5a544f2b3f384",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.053,
"b": 49.480,
"c": 57.202,
"alpha": 81.70,
"beta": 87.84,
"gamma": 61.41
},
"wavelengths": [1.07170],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.03,1.950],
"number_observations_unique": 32254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 14864,
"number_observations_unique": 2134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.870
},
{
"type": "R(meas)",
"value": 0.939
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [42.990,8.940],
"number_observations": 2567,
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 67.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}