Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab4e68ca5169994bcfce31bb0533fd43",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 48.141,
"b": 133.317,
"c": 143.892,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.322,2.550],
"number_observations_unique": 14811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.69,2.55],
"number_observations": 5786,
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 82.00
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.85,2.69],
"number_observations": 7907,
"number_observations_unique": 1997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 94.60
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [3.05,2.85],
"number_observations": 8428,
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.29,3.05],
"number_observations": 7788,
"number_observations_unique": 1842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.61,3.29],
"number_observations": 7216,
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.03,3.61],
"number_observations": 6492,
"number_observations_unique": 1536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.66,4.03],
"number_observations": 5652,
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [5.70,4.66],
"number_observations": 4802,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [8.06,5.70],
"number_observations": 3744,
"number_observations_unique": 920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [38.32,8.06],
"number_observations": 1906,
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 95.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
}
]
}