Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3bf99c4abf78833333fdc8348553a93",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 145.596,
"b": 162.993,
"c": 246.377,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.680,3.050],
"number_observations": 613744,
"number_observations_unique": 111779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
"refln_shells": [
{
"resolution_limits": [3.100,3.050],
"number_observations_unique": 5449,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.249
},
{
"type": "R(meas)",
"value": 2.488
},
{
"type": "R(pim)",
"value": 1.050
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [49.680,16.710],
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
}
]
}