Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14246e6a53cd7f550d17a61d9dc74355",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.959,
"b": 40.278,
"c": 110.665,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.670,1.190],
"number_observations": 310446,
"number_observations_unique": 52205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.190],
"number_observations_unique": 2905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.795
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "Completeness",
"value": 75.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [27.670,5.320],
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}