Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2bf0426b974de70bf0e044f3eef98bfd",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.392,
"b": 96.358,
"c": 58.167,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.750],
"number_observations": 129686,
"number_observations_unique": 22965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.750],
"number_observations": 2372,
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.772
},
{
"type": "R(meas)",
"value": 0.909
},
{
"type": "R(pim)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 66.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.573
}
]
},
{
"resolution_limits": [29.080,9.110],
"number_observations": 1202,
"number_observations_unique": 198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}