Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cecf1fcdc4c19a23a415d9d2c572a2a8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 61.09,
"b": 85.44,
"c": 59.74,
"alpha": 90.00,
"beta": 100.29,
"gamma": 90.00
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.050,1.950],
"number_observations": 80002,
"number_observations_unique": 20938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 5521,
"number_observations_unique": 1428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [30.050,8.940],
"number_observations": 757,
"number_observations_unique": 233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}