Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92356598940d8823a1b27a7e473e7e40",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.503,
"b": 67.503,
"c": 170.053,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.170,2.360],
"number_observations": 146662,
"number_observations_unique": 10122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.360],
"number_observations": 15662,
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.283
},
{
"type": "R(meas)",
"value": 3.397
},
{
"type": "R(pim)",
"value": 0.853
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 15.500
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [48.170,8.830],
"number_observations": 3114,
"number_observations_unique": 256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}