Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b27e18a8506394c273afccaa3a4c7ed7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.325,
"b": 56.341,
"c": 101.804,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.070,1.700],
"number_observations": 234028,
"number_observations_unique": 35726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 16603,
"number_observations_unique": 2517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.860
},
{
"type": "R(meas)",
"value": 0.932
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [29.070,7.600],
"number_observations": 2817,
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 67.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}