Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "12fc156b42e61b2f6c8bc435f8800bf8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.042,
"b": 102.107,
"c": 145.612,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.540,1.930],
"number_observations": 318808,
"number_observations_unique": 50262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 19087,
"number_observations_unique": 3261,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.447
},
{
"type": "R(meas)",
"value": 3.779
},
{
"type": "R(pim)",
"value": 1.522
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [48.540,9.050],
"number_observations": 3375,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}