Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd6f0ceedf8565188c5b8cc6e6961aa1",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 61.289,
"b": 61.289,
"c": 83.116,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,1.750],
"number_observations_unique": 30578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 18281,
"number_observations_unique": 888,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.622
},
{
"type": "R(meas)",
"value": 1.663
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.600
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
},
{
"resolution_limits": [49.330,9.090],
"number_observations": 2990,
"number_observations_unique": 157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 73.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}