Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf9b12a509eb208c89287b23de23e821",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.380,
"b": 47.236,
"c": 46.479,
"alpha": 90.00,
"beta": 103.53,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.240,1.300],
"number_observations": 87332,
"number_observations_unique": 26458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 4380,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.331
},
{
"type": "R(meas)",
"value": 2.806
},
{
"type": "R(pim)",
"value": 1.535
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.301
}
]
},
{
"resolution_limits": [47.240,7.000],
"number_observations": 599,
"number_observations_unique": 180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 43.400
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}