Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9afd5292aebaf01685f71a69ce7175d7",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 72.803,
"b": 141.565,
"c": 144.974,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [101.260,2.190],
"number_observations": 183109,
"number_observations_unique": 38519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.190],
"number_observations": 26444,
"number_observations_unique": 5542,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.344
},
{
"type": "R(meas)",
"value": 2.764
},
{
"type": "R(pim)",
"value": 1.247
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.234
}
]
},
{
"resolution_limits": [101.260,6.930],
"number_observations": 5995,
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}