Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7cecd78744c604c2aa739e966a1983be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.91,
"b": 44.75,
"c": 78.48,
"alpha": 90.00,
"beta": 118.54,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.46,1.800],
"number_observations_unique": 42191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 6695,
"number_observations_unique": 2519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.716
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [39.430,9.000],
"number_observations": 951,
"number_observations_unique": 332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
}
]
}