Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98381d586e9d814f1bc6f278d02aabbd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.49,
"b": 27.03,
"c": 55.83,
"alpha": 90.0,
"beta": 100.6,
"gamma": 90.0
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.840,1.280],
"number_observations": 81715,
"number_observations_unique": 29723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.280],
"number_observations": 2997,
"number_observations_unique": 1829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.964
},
{
"type": "R(pim)",
"value": 0.644
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 80.900
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [29.840,5.720],
"number_observations": 1109,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}