Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "851fbed39af06cf02255ec52a791a669",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.137,
"b": 51.430,
"c": 79.334,
"alpha": 90.00,
"beta": 91.98,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.110,1.6570],
"number_observations_unique": 42157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.660],
"number_observations": 11236,
"number_observations_unique": 1796,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.684
},
{
"type": "R(meas)",
"value": 1.829
},
{
"type": "R(pim)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.393
}
]
},
{
"resolution_limits": [44.110,9.070],
"number_observations": 1742,
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}