Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fd5555afe7f67f909767ac554b22da6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.514,
"b": 106.076,
"c": 151.951,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.800,1.990],
"number_observations": 448314,
"number_observations_unique": 62085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 30368,
"number_observations_unique": 4314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "R(meas)",
"value": 0.870
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [46.800,8.910],
"number_observations": 4648,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 44.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}