Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed2f29a05579aca0faa4aab263e030b6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 104.813,
"b": 112.678,
"c": 39.865,
"alpha": 90.00,
"beta": 92.56,
"gamma": 90.00
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.830,2.550],
"number_observations": 66855,
"number_observations_unique": 15087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.550],
"number_observations": 7483,
"number_observations_unique": 1821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [39.830,8.830],
"number_observations": 1731,
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}