Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57adda18ad9c51c9012761d6f7430b7c",
"space_group_name": "P 1",
"unit_cell": {
"a": 25.82,
"b": 32.30,
"c": 49.93,
"alpha": 72.27,
"beta": 78.09,
"gamma": 72.22
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.710,1.400],
"number_observations_unique": 54425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 5348,
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.508
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [29.710,7.540],
"number_observations": 679,
"number_observations_unique": 185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}