Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3dda75023a5524dc0b63917e878b453",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.145,
"b": 56.248,
"c": 101.743,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.040,1.450],
"number_observations": 370125,
"number_observations_unique": 53766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 26647,
"number_observations_unique": 3861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [29.040,6.480],
"number_observations": 4595,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 74.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}