Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "963f5f1212f34f07aa1875a23b68999b",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 53.526,
"b": 53.526,
"c": 192.768,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.920,1.450],
"number_observations": 562321,
"number_observations_unique": 50776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"number_observations": 58055,
"number_observations_unique": 5163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 0.823
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [18.920,5.430],
"number_observations": 11278,
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}