Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4eb37a8d730ee0e2e1be30a5c9e307ea",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.45,
"b": 52.17,
"c": 101.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.400,1.630],
"number_observations": 214893,
"number_observations_unique": 33619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 15861,
"number_observations_unique": 2448,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.896
},
{
"type": "R(meas)",
"value": 2.061
},
{
"type": "R(pim)",
"value": 0.802
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.433
}
]
},
{
"resolution_limits": [36.400,7.290],
"number_observations": 2676,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 68.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}