Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1199885150e66e5d928f6f5217550b5b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.666,
"b": 54.064,
"c": 44.931,
"alpha": 90.00,
"beta": 101.47,
"gamma": 90.00
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.640,2.230],
"number_observations": 89181,
"number_observations_unique": 13122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.230],
"number_observations": 8644,
"number_observations_unique": 1242,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.443
},
{
"type": "R(meas)",
"value": 1.560
},
{
"type": "R(pim)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [48.640,8.640],
"number_observations": 1359,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}