Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25b29c8117a45f88bb0095e211e1601f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.21,
"b": 106.57,
"c": 73.68,
"alpha": 90.00,
"beta": 111.84,
"gamma": 90.00
},
"wavelengths": [0.99996],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.391,2.130],
"number_observations": 171768,
"number_observations_unique": 51061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.138,2.130],
"number_observations": 1830,
"number_observations_unique": 522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [68.391,9.879],
"number_observations": 1897,
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 47.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}