Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acd791a5bb5ced7289cbc99b95b6144a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.592,
"b": 77.330,
"c": 99.592,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.320,1.580],
"number_observations": 251486,
"number_observations_unique": 41699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 14407,
"number_observations_unique": 3022,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.144
},
{
"type": "R(meas)",
"value": 1.292
},
{
"type": "R(pim)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [77.320,7.070],
"number_observations": 3110,
"number_observations_unique": 566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}