Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45ff422c19ee8926bdacffb2bfcb9951",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.428,
"b": 99.322,
"c": 141.723,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92012],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.760,2.560],
"number_observations": 201302,
"number_observations_unique": 35867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.560],
"number_observations": 22491,
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.695
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [29.760,8.850],
"number_observations": 4866,
"number_observations_unique": 948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}