Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b529a6f9a3431778265a5351fbd0d93",
"space_group_name": "P 1",
"unit_cell": {
"a": 51.217,
"b": 62.600,
"c": 66.807,
"alpha": 77.03,
"beta": 81.04,
"gamma": 89.62
},
"wavelengths": [1.00040],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.210,1.400],
"number_observations": 315876,
"number_observations_unique": 146177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 10103,
"number_observations_unique": 4879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 61.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [43.210,7.670],
"number_observations": 1815,
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}