Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54750b77fee023ba381e58cb06a2a414",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 166.827,
"b": 169.885,
"c": 102.656,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.620,2.880],
"number_observations": 238525,
"number_observations_unique": 32900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.040,2.880],
"number_observations": 27685,
"number_observations_unique": 4452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.883
},
{
"type": "R(meas)",
"value": 0.962
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.669
}
]
},
{
"resolution_limits": [53.620,9.120],
"number_observations": 7746,
"number_observations_unique": 1146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 41.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}