Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59380096c9c7d72f50629fd4175a9c74",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.016,
"b": 95.016,
"c": 45.461,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.580,1.190],
"number_observations": 573574,
"number_observations_unique": 59389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 1889,
"number_observations_unique": 1288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.844
},
{
"type": "R(meas)",
"value": 1.103
},
{
"type": "R(pim)",
"value": 0.698
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 40.100
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [33.580,6.520],
"number_observations": 5403,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 71.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}