Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "095ec2ca0a8a32f55ce4266c6a636537",
"space_group_name": "P 1",
"unit_cell": {
"a": 34.886,
"b": 43.517,
"c": 51.724,
"alpha": 103.78,
"beta": 92.42,
"gamma": 101.49
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.72,1.270],
"number_observations_unique": 68333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.270],
"number_observations": 11491,
"number_observations_unique": 3138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [36.690,6.950],
"number_observations": 1602,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}