Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d353c1f7ff386f320f0b65e619b7af05",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.825,
"b": 88.825,
"c": 39.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.410,0.980],
"number_observations": 1087454,
"number_observations_unique": 176008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 26492,
"number_observations_unique": 8009,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.665
},
{
"type": "R(meas)",
"value": 1.971
},
{
"type": "R(pim)",
"value": 1.018
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.325
}
]
},
{
"resolution_limits": [44.410,5.370],
"number_observations": 8061,
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 61.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}