Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e76884e93ac4b040bc5b44eee562ed7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.60,
"b": 45.32,
"c": 55.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.830,1.600],
"number_observations": 95123,
"number_observations_unique": 13611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 4621,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [32.830,8.620],
"number_observations": 590,
"number_observations_unique": 119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}