Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "444f095b9f73d402197c0f357b3d49db",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.172,
"b": 97.099,
"c": 58.320,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.160,1.740],
"number_observations": 155274,
"number_observations_unique": 24295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 4945,
"number_observations_unique": 959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.861
},
{
"type": "R(meas)",
"value": 0.948
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 71.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [29.160,9.020],
"number_observations": 1250,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}