Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1a70c33bc171cab34ef76a9912fd8932",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.85,
"b": 82.85,
"c": 133.97,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.880,2.410],
"number_observations": 395670,
"number_observations_unique": 21116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.410],
"number_observations": 30587,
"number_observations_unique": 1556,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.681
},
{
"type": "R(meas)",
"value": 2.753
},
{
"type": "R(pim)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [35.880,10.780],
"number_observations": 3163,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}