Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "455cb34dd4658f5285f0fa25d2ed0a3c",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.240,
"b": 94.171,
"c": 117.306,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.985,1.15],
"number_observations_unique": 119589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.194,1.154],
"number_observations": 15081,
"number_observations_unique": 5980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "R(pim)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 49.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [58.985,3.267],
"number_observations": 36072,
"number_observations_unique": 5978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}