Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "723bd8f0a0354534a0875f312fee3ea2",
"space_group_name": "P 64 2 2",
"unit_cell": {
"a": 93.80,
"b": 93.80,
"c": 218.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.93100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.905,3.300],
"number_observations_unique": 7902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.48,3.30],
"number_observations": 4286,
"number_observations_unique": 875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 67.40
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [3.69,3.48],
"number_observations": 5936,
"number_observations_unique": 998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 82.30
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [3.94,3.69],
"number_observations": 8128,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 93.60
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [4.26,3.94],
"number_observations": 9873,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [4.67,4.26],
"number_observations": 9320,
"number_observations_unique": 1024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 9.10
}
]
},
{
"resolution_limits": [5.22,4.67],
"number_observations": 8644,
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 9.20
}
]
},
{
"resolution_limits": [6.02,5.22],
"number_observations": 7792,
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 9.40
}
]
},
{
"resolution_limits": [7.38,6.02],
"number_observations": 6529,
"number_observations_unique": 724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [10.44,7.38],
"number_observations": 5302,
"number_observations_unique": 578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 9.20
}
]
},
{
"resolution_limits": [81.38,10.44],
"number_observations": 2453,
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 92.40
},
{
"type": "Redundancy",
"value": 7.50
}
]
}
]
}