Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f19a59293dcb02ab6f8bf2d14f98aa8",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.61,
"b": 67.61,
"c": 165.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.840,1.850],
"number_observations": 181350,
"number_observations_unique": 18263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11320,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [33.840,9.060],
"number_observations": 1504,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 51.300
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}