Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b58f4eed98e0a96a3979dc515873b7f0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.64,
"b": 56.12,
"c": 101.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.4240,1.570],
"number_observations": 301096,
"number_observations_unique": 45773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 21715,
"number_observations_unique": 3348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.771
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [56.640,7.020],
"number_observations": 3646,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 71.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}