Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1947a05e56ac61d00fe63f46117076dd",
"space_group_name": "P 31",
"unit_cell": {
"a": 81.17,
"b": 81.17,
"c": 33.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27,1.700],
"number_observations_unique": 27120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.700],
"number_observations": 10421,
"number_observations_unique": 3841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [1.900,1.790],
"number_observations": 10682,
"number_observations_unique": 3805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.030,1.900],
"number_observations": 10038,
"number_observations_unique": 3537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.190,2.030],
"number_observations": 9510,
"number_observations_unique": 3328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.400,2.190],
"number_observations": 8501,
"number_observations_unique": 2997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.690,2.400],
"number_observations": 7872,
"number_observations_unique": 2713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.100,2.690],
"number_observations": 6926,
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.800,3.100],
"number_observations": 6008,
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [5.380,3.800],
"number_observations": 4521,
"number_observations_unique": 1576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [26.569,5.380],
"number_observations": 2465,
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.6
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}