Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e20d85c538697a416675b6cb53ffd959",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.74,
"b": 79.66,
"c": 89.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.290,1.350],
"number_observations": 641840,
"number_observations_unique": 99189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.350],
"number_observations": 41382,
"number_observations_unique": 7237,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.645
},
{
"type": "R(meas)",
"value": 1.813
},
{
"type": "R(pim)",
"value": 0.754
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [49.290,6.040],
"number_observations": 7901,
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}