Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac627aa308e19d5215313379138c6383",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.62,
"b": 27.05,
"c": 55.85,
"alpha": 90.00,
"beta": 100.35,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.150,1.230],
"number_observations": 87522,
"number_observations_unique": 32836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.230],
"number_observations": 1836,
"number_observations_unique": 1404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.609
},
{
"type": "R(pim)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 54.800
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [40.150,5.500],
"number_observations": 1282,
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}