Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62e54a46c25a36a2094c784ef1e02b75",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 50.03,
"b": 50.03,
"c": 91.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.33,1.257],
"number_observations_unique": 36626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 16.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.257],
"number_observations": 30995,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.641
},
{
"type": "R(meas)",
"value": 1.692
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 16.900
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [43.327,3.523],
"number_observations": 26662,
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}