Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c36570cc80250539f73f56dee05f644",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 84.800,
"b": 134.010,
"c": 110.772,
"alpha": 90.0,
"beta": 95.5,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.570,1.750],
"number_observations": 440021,
"number_observations_unique": 124203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 20509,
"number_observations_unique": 6113,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.018
},
{
"type": "R(meas)",
"value": 1.206
},
{
"type": "R(pim)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.290
}
]
},
{
"resolution_limits": [42.570,9.570],
"number_observations": 2629,
"number_observations_unique": 758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}