Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a7f9f1b13978ed1010bf32581c51664",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 77.689,
"b": 101.780,
"c": 128.980,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.33000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.900,2.720],
"number_observations": 84751,
"number_observations_unique": 13755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.720],
"number_observations": 12008,
"number_observations_unique": 2001,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.769
},
{
"type": "R(meas)",
"value": 1.934
},
{
"type": "R(pim)",
"value": 0.767
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.384
}
]
},
{
"resolution_limits": [79.900,8.600],
"number_observations": 2857,
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}