Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "758fcfb827f20c4166b2d4aa73b71411",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.041,
"b": 96.831,
"c": 58.044,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,1.790],
"number_observations": 146284,
"number_observations_unique": 22376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 7053,
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.882
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [29.020,8.750],
"number_observations": 1391,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 54.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}