Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e78e80ff78aa6fcff0ec1560e7233adc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.440,
"b": 83.909,
"c": 58.756,
"alpha": 90.00,
"beta": 108.64,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.910,1.430],
"number_observations": 425470,
"number_observations_unique": 77539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 82.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 2373,
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.973
},
{
"type": "R(meas)",
"value": 1.318
},
{
"type": "R(pim)",
"value": 0.882
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 30.500
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.322
}
]
},
{
"resolution_limits": [83.910,7.830],
"number_observations": 3854,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 90.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}