Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6121acbdf4f71a71816c8282427bb2f6",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 101.492,
"b": 101.492,
"c": 78.159,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.310,1.550],
"number_observations": 1276211,
"number_observations_unique": 67630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 47508,
"number_observations_unique": 3319,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.757
},
{
"type": "R(meas)",
"value": 1.822
},
{
"type": "R(pim)",
"value": 0.475
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [38.310,8.490],
"number_observations": 7419,
"number_observations_unique": 467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 15.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}