Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4351121ffcc73cea6de1f8adbf892df8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 86.790,
"b": 127.252,
"c": 150.304,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [150.300,2.850],
"number_observations": 145243,
"number_observations_unique": 19818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 21131,
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.467
},
{
"type": "R(meas)",
"value": 2.652
},
{
"type": "R(pim)",
"value": 0.963
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.321
}
]
},
{
"resolution_limits": [150.300,9.010],
"number_observations": 4646,
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}