Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72aef14b1eb57a7a76a7e772e2d23b29",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.125,
"b": 57.088,
"c": 115.290,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.110,1.210],
"number_observations": 580392,
"number_observations_unique": 103558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.240,1.210],
"number_observations": 25361,
"number_observations_unique": 6976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.874
},
{
"type": "R(meas)",
"value": 1.024
},
{
"type": "R(pim)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.651
}
]
},
{
"resolution_limits": [52.110,5.410],
"number_observations": 7895,
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 36.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}