Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bba52b545ee3fdf9ed7580eeef2808e6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.399,
"b": 41.583,
"c": 111.380,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.270,1.150],
"number_observations": 286310,
"number_observations_unique": 56329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.150],
"number_observations": 5953,
"number_observations_unique": 3152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 75.400
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [29.270,5.140],
"number_observations": 4197,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 60.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}