Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be3d121983993cf8745da4402ee4114d",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 36.739,
"b": 47.270,
"c": 79.449,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.270,1.460],
"number_observations": 215097,
"number_observations_unique": 23773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.460],
"number_observations": 3985,
"number_observations_unique": 1049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [47.270,8.020],
"number_observations": 1781,
"number_observations_unique": 192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}