Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89c52121fb5ec9259b9861cfbf72918f",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 82.73,
"b": 82.73,
"c": 170.35,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96861],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.210,2.510],
"number_observations": 269502,
"number_observations_unique": 21021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.580,2.510],
"number_observations": 20143,
"number_observations_unique": 1516,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.235
},
{
"type": "R(meas)",
"value": 2.324
},
{
"type": "R(pim)",
"value": 0.635
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [37.210,11.230],
"number_observations": 2903,
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}