Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "109ce0c936b4eedbfe4649ead4cb30ad",
"space_group_name": "P 43",
"unit_cell": {
"a": 60.798,
"b": 60.798,
"c": 35.378,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.980,1.840],
"number_observations": 156378,
"number_observations_unique": 11438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 9812,
"number_observations_unique": 689,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.554
},
{
"type": "R(meas)",
"value": 5.761
},
{
"type": "R(pim)",
"value": 1.526
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.266
}
]
},
{
"resolution_limits": [42.980,9.010],
"number_observations": 1167,
"number_observations_unique": 112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 70.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}