Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e3bc3aeb922c85e32bb21a9d313fe35",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.282,
"b": 74.981,
"c": 118.959,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93340],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.480,2.300],
"number_observations": 39273,
"number_observations_unique": 12634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 3831,
"number_observations_unique": 1239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.704
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [59.480,8.910],
"number_observations": 622,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}