Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3985b3f1b09e8b721880c60ce714fbdc",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 86.075,
"b": 43.183,
"c": 63.834,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.834,1.359],
"number_observations": 350886,
"number_observations_unique": 46691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.364,1.359],
"number_observations": 3258,
"number_observations_unique": 493,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.031
},
{
"type": "R(meas)",
"value": 1.123
},
{
"type": "R(pim)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [63.834,6.307],
"number_observations": 4136,
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 65.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}