Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "749a1468007fa9366ccb47ff1d309bc2",
"space_group_name": "P 1",
"unit_cell": {
"a": 64.209,
"b": 75.260,
"c": 121.631,
"alpha": 84.77,
"beta": 87.51,
"gamma": 65.37
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.2,2.400],
"number_observations_unique": 78375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.400],
"number_observations": 18179,
"number_observations_unique": 4542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.781
},
{
"type": "R(meas)",
"value": 0.904
},
{
"type": "R(pim)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [47.200,12.240],
"number_observations": 1905,
"number_observations_unique": 568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}