Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a6cc5226d54acac8a95174edc1d4abe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.79,
"b": 64.05,
"c": 70.81,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.820,1.580],
"number_observations": 231870,
"number_observations_unique": 35453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 17237,
"number_observations_unique": 2573,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.497
},
{
"type": "R(meas)",
"value": 1.622
},
{
"type": "R(pim)",
"value": 0.620
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [43.820,7.070],
"number_observations": 2838,
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}