Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a663875f8fd826d07ec3a2753cdf6e6",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 139.977,
"b": 139.977,
"c": 72.645,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.540,1.950],
"number_observations": 332432,
"number_observations_unique": 19962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 23052,
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "R(meas)",
"value": 0.709
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [46.540,8.940],
"number_observations": 3520,
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 72.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}