Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcdd43f4cdddc0cbecfa6d87bd30676b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.459,
"b": 45.343,
"c": 83.224,
"alpha": 90.00,
"beta": 102.27,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.400,1.890],
"number_observations": 126093,
"number_observations_unique": 36905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 9157,
"number_observations_unique": 2683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.847
},
{
"type": "R(meas)",
"value": 1.009
},
{
"type": "R(pim)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [28.400,8.440],
"number_observations": 1495,
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 45.400
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}