Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93f0fa49974cf6425c592f1426f2e6cb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.50,
"b": 26.92,
"c": 55.97,
"alpha": 90.0,
"beta": 100.0,
"gamma": 90.0
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.130,1.350],
"number_observations": 74006,
"number_observations_unique": 26253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.350],
"number_observations": 3424,
"number_observations_unique": 1819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [40.130,6.040],
"number_observations": 975,
"number_observations_unique": 330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}