Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "618d86734303a5cf57b9727e795f216b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.58,
"b": 27.47,
"c": 56.76,
"alpha": 90.00,
"beta": 100.34,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.840,1.290],
"number_observations": 92915,
"number_observations_unique": 31423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.290],
"number_observations": 4823,
"number_observations_unique": 2238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.691
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "R(pim)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.495
}
]
},
{
"resolution_limits": [55.840,5.770],
"number_observations": 1134,
"number_observations_unique": 381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 54.300
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}