Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb72d1543b7a6d50a4af2514577f2943",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 107.21,
"b": 108.34,
"c": 98.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.4],
"number_observations_unique": 222571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.1
},
{
"type": "I/SigI",
"value": 12.66
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.5,1.40],
"number_observations_unique": 40827,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.781
},
{
"type": "R(meas)",
"value": 4.121
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
},
{
"resolution_limits": [1.7,1.50],
"number_observations_unique": 56096,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.21
},
{
"type": "R(meas)",
"value": 1.308
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.0,1.70],
"number_observations_unique": 47898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.5,2.00],
"number_observations_unique": 37521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.10099999999999999
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [3.3,2.50],
"number_observations_unique": 22486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.5,3.30],
"number_observations_unique": 10599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.7,4.50],
"number_observations_unique": 3567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.0,5.70],
"number_observations_unique": 2253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [12.0,8.00],
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [50.00,12.00],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036000000000000004
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}