Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47a7d70a618fdff474d05264689bb48c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.62,
"b": 138.01,
"c": 49.02,
"alpha": 90.00,
"beta": 94.33,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.890,1.300],
"number_observations": 441329,
"number_observations_unique": 128260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 10462,
"number_observations_unique": 4046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 59.200
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [39.890,7.120],
"number_observations": 1065,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 42.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}