Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54d72c8c7ba4171ed6ac00f9f88e3d0e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 35.902,
"b": 94.998,
"c": 72.910,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88558],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.460,1.060],
"number_observations": 623131,
"number_observations_unique": 55563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.060],
"number_observations": 12414,
"number_observations_unique": 2119,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.043
},
{
"type": "R(meas)",
"value": 1.134
},
{
"type": "R(pim)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 76.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [36.460,5.820],
"number_observations": 4631,
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 47.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}