Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba3f1dfd6875e892c87041558fb6f89b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.23,
"b": 109.34,
"c": 117.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.110,1.800],
"number_observations": 639057,
"number_observations_unique": 89885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 30858,
"number_observations_unique": 4512,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.091
},
{
"type": "R(pim)",
"value": 0.849
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.498
}
]
},
{
"resolution_limits": [80.110,9.690],
"number_observations": 4298,
"number_observations_unique": 675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}