Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2797c172da03ce26f091388bc11e5a2",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.422,
"b": 76.438,
"c": 118.130,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.167,2.047],
"number_observations": 81554,
"number_observations_unique": 18022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.083,2.047],
"number_observations": 3740,
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(meas)",
"value": 0.684
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [64.167,5.556],
"number_observations": 4096,
"number_observations_unique": 973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 54.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}