Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b63c3c874ceecfd30acefa7ad8de0f9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 101.208,
"b": 102.316,
"c": 127.032,
"alpha": 90.00,
"beta": 106.42,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.080,1.560],
"number_observations": 1255558,
"number_observations_unique": 350164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.560],
"number_observations": 60757,
"number_observations_unique": 17275,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.272
},
{
"type": "R(meas)",
"value": 1.504
},
{
"type": "R(pim)",
"value": 0.795
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [46.080,8.540],
"number_observations": 7850,
"number_observations_unique": 2200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}