Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9c7a8c55edcd50136ac98654c04c278",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.753,
"b": 60.122,
"c": 79.520,
"alpha": 79.24,
"beta": 81.03,
"gamma": 75.23
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.790,1.550],
"number_observations": 205200,
"number_observations_unique": 118439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.550],
"number_observations": 25919,
"number_observations_unique": 17553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.933
},
{
"type": "R(meas)",
"value": 1.319
},
{
"type": "R(pim)",
"value": 0.932
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
},
{
"resolution_limits": [47.790,4.890],
"number_observations": 6597,
"number_observations_unique": 3675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}