Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05560f2a161009c2c19a31c234ff7e04",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.588,
"b": 67.588,
"c": 167.162,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.950,1.800],
"number_observations": 554891,
"number_observations_unique": 21872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 35432,
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.590
},
{
"type": "R(meas)",
"value": 2.637
},
{
"type": "R(pim)",
"value": 0.494
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 28.100
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [47.950,9.000],
"number_observations": 5150,
"number_observations_unique": 243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 122.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
}
]
}