Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3379e7aa0e84eb674199eadb6ebc2776",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.633,
"b": 96.930,
"c": 57.910,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.040,1.720],
"number_observations": 142659,
"number_observations_unique": 24537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 4002,
"number_observations_unique": 1159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 0.860
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [30.040,9.100],
"number_observations": 1188,
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}