Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5296361eeea6ab8a662c4d760df99c14",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 93.06,
"b": 93.06,
"c": 130.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.07227],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.530,1.160],
"number_observations": 1989653,
"number_observations_unique": 114872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.160],
"number_observations": 182165,
"number_observations_unique": 11105,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.785
},
{
"type": "R(meas)",
"value": 2.874
},
{
"type": "R(pim)",
"value": 0.703
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [46.530,4.490],
"number_observations": 40377,
"number_observations_unique": 2262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 64.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}