Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac7c4e71ec099eab5a8fe2baf6e278e0",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 103.931,
"b": 69.472,
"c": 219.344,
"alpha": 90.00,
"beta": 100.62,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.450,3.040],
"number_observations": 106171,
"number_observations_unique": 29497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.230,3.040],
"number_observations": 16175,
"number_observations_unique": 4568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [57.450,9.130],
"number_observations": 3719,
"number_observations_unique": 1124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 48.600
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}