Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23f8a0a1892706077482963b2ab62eee",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.295,
"b": 59.894,
"c": 80.357,
"alpha": 79.21,
"beta": 81.58,
"gamma": 75.63
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.490,1.490],
"number_observations": 225572,
"number_observations_unique": 132526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.490],
"number_observations": 26641,
"number_observations_unique": 18829,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.164
},
{
"type": "R(meas)",
"value": 1.645
},
{
"type": "R(pim)",
"value": 1.163
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.484
}
]
},
{
"resolution_limits": [47.490,4.720],
"number_observations": 7416,
"number_observations_unique": 4109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}