Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62cb96a9fc501231a99ac713c799d936",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 95.156,
"b": 100.803,
"c": 67.621,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.410,2.200],
"number_observations_unique": 16675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.810
}
]
},
"refln_shells": [
{
"resolution_limits": [2.28,2.20],
"number_observations": 7945,
"number_observations_unique": 1632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.86
}
]
},
{
"resolution_limits": [2.37,2.28],
"number_observations": 8152,
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.85
}
]
},
{
"resolution_limits": [2.48,2.37],
"number_observations": 8173,
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.86
}
]
},
{
"resolution_limits": [2.61,2.48],
"number_observations": 7995,
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.86
}
]
},
{
"resolution_limits": [2.77,2.61],
"number_observations": 8136,
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.84
}
]
},
{
"resolution_limits": [2.99,2.77],
"number_observations": 8055,
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.29,2.99],
"number_observations": 8075,
"number_observations_unique": 1665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.77
}
]
},
{
"resolution_limits": [3.76,3.29],
"number_observations": 8059,
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 4.71
}
]
},
{
"resolution_limits": [4.74,3.76],
"number_observations": 7850,
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 18.0
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [40.41,4.74],
"number_observations": 8309,
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 19.6
},
{
"type": "Completeness",
"value": 95.80
},
{
"type": "Redundancy",
"value": 4.80
}
]
}
]
}