Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2971be766c404afff61a62c628d9e30",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.69,
"b": 52.42,
"c": 136.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97780],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.420,1.350],
"number_observations": 553629,
"number_observations_unique": 68289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 24810,
"number_observations_unique": 3342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "R(meas)",
"value": 0.917
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [52.420,7.390],
"number_observations": 4269,
"number_observations_unique": 505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}