Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b62937cffd418a7829cecc79efd73af3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.489,
"b": 83.479,
"c": 58.980,
"alpha": 90.00,
"beta": 108.31,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.460,1.340],
"number_observations": 431655,
"number_observations_unique": 84577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 279,
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 5.000
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [83.460,7.340],
"number_observations": 4711,
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 93.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}