Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ede5b4e11648228d93635991f0ed2b9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.406,
"b": 71.406,
"c": 150.416,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.390,1.190],
"number_observations": 1115607,
"number_observations_unique": 94066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 75.300
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 2081,
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.688
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 16.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.607
}
]
},
{
"resolution_limits": [29.390,6.520],
"number_observations": 10223,
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 41.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}