Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "99d54b0d51e70c83a499bc7551f1745d",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.83,
"b": 81.83,
"c": 135.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.030,2.090],
"number_observations": 624381,
"number_observations_unique": 31794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.090],
"number_observations": 44827,
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.553
},
{
"type": "R(meas)",
"value": 1.595
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [35.030,9.350],
"number_observations": 5800,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}