Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd69477d2512e4b722d1a72d1fc7a108",
"space_group_name": "P 1",
"unit_cell": {
"a": 45.373,
"b": 64.669,
"c": 67.028,
"alpha": 112.37,
"beta": 108.11,
"gamma": 93.93
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.180,2.780],
"number_observations": 30774,
"number_observations_unique": 14867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.930,2.780],
"number_observations": 4282,
"number_observations_unique": 2121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(meas)",
"value": 0.944
},
{
"type": "R(pim)",
"value": 0.638
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [42.180,8.780],
"number_observations": 898,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}