Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e6a316c6c20f211a659f0687cc41fda",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.191,
"b": 47.213,
"c": 46.340,
"alpha": 90.00,
"beta": 103.25,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.210,1.550],
"number_observations": 51378,
"number_observations_unique": 15901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 1836,
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [47.210,8.490],
"number_observations": 330,
"number_observations_unique": 109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.400
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}