Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2d6a450dd8fe02056ad31bb1b4248de",
"space_group_name": "P 1",
"unit_cell": {
"a": 50.999,
"b": 55.357,
"c": 64.693,
"alpha": 98.676,
"beta": 95.002,
"gamma": 99.014
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.54,1.85],
"number_observations_unique": 57209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [63.54,9.06],
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.89,1.85],
"number_observations_unique": 3478,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.109
},
{
"type": "R(meas)",
"value": 1.568
},
{
"type": "R(pim)",
"value": 1.109
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
}
]
}