Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "492d56bbfa2ea871ee63c9a6cf4accd7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.87,
"b": 89.56,
"c": 97.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.720,1.920],
"number_observations": 205043,
"number_observations_unique": 32670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 13613,
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.649
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [38.720,9.010],
"number_observations": 1987,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}