Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13202c7125947726e56dd859ebd8d16a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.776,
"b": 68.384,
"c": 138.415,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.430,2.050],
"number_observations": 278700,
"number_observations_unique": 41010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 22359,
"number_observations_unique": 3150,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.075
},
{
"type": "R(meas)",
"value": 3.319
},
{
"type": "R(pim)",
"value": 1.242
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [138.430,8.700],
"number_observations": 3603,
"number_observations_unique": 639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
}
]
}