Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70d4766ecd02de11ef5a61339cdf9c5a",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.074,
"b": 59.679,
"c": 80.321,
"alpha": 79.44,
"beta": 81.82,
"gamma": 75.93
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.320,1.580],
"number_observations": 193270,
"number_observations_unique": 113271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 11879,
"number_observations_unique": 8144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [47.320,7.070],
"number_observations": 2330,
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}