Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33339a5d5e9c850db0cef48f9d00e6cb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.03,
"b": 51.41,
"c": 79.14,
"alpha": 90.00,
"beta": 92.05,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.100,1.600],
"number_observations": 230643,
"number_observations_unique": 35102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 10763,
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 74.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [43.100,8.620],
"number_observations": 1726,
"number_observations_unique": 230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}