Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68d12262e22bcf13cf51f2ceb59148fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.382,
"b": 68.338,
"c": 119.780,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.340,2.050],
"number_observations": 499594,
"number_observations_unique": 35005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 38542,
"number_observations_unique": 2696,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.522
},
{
"type": "R(meas)",
"value": 1.579
},
{
"type": "R(pim)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [68.340,8.940],
"number_observations": 5550,
"number_observations_unique": 508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}