Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "869abf00469b419bc97cfb80cf4998bc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.76,
"b": 116.20,
"c": 103.29,
"alpha": 90.00,
"beta": 109.97,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.960,1.760],
"number_observations": 1297873,
"number_observations_unique": 194397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations": 59494,
"number_observations_unique": 9409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.980
},
{
"type": "R(pim)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [39.960,9.640],
"number_observations": 8326,
"number_observations_unique": 1244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}