Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f8b81016e5d7adc508334952255aaf6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.125,
"b": 46.020,
"c": 63.707,
"alpha": 90.00,
"beta": 111.13,
"gamma": 90.00
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.220,1.640],
"number_observations": 123331,
"number_observations_unique": 38677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 7470,
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "R(meas)",
"value": 0.811
},
{
"type": "R(pim)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.575
}
]
},
{
"resolution_limits": [54.220,7.330],
"number_observations": 1509,
"number_observations_unique": 473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}