Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1302fc7a88a84ebddd17c9f3ed25b803",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.361,
"b": 90.311,
"c": 86.395,
"alpha": 90.0,
"beta": 122.2,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.380,1.800],
"number_observations": 416803,
"number_observations_unique": 88479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 13419,
"number_observations_unique": 4317,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.821
},
{
"type": "R(meas)",
"value": 2.164
},
{
"type": "R(pim)",
"value": 1.143
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [24.380,9.670],
"number_observations": 3001,
"number_observations_unique": 483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}