Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de6d2bd11697a437cb2b0655b8ccf75a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.946,
"b": 77.109,
"c": 78.500,
"alpha": 90.00,
"beta": 106.65,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.760],
"number_observations_unique": 72199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.79,1.76],
"number_observations_unique": 2942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "Completeness",
"value": 81.00
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [1.82,1.79],
"number_observations_unique": 3645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [1.86,1.82],
"number_observations_unique": 3589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [1.90,1.86],
"number_observations_unique": 3661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 3622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [1.98,1.94],
"number_observations_unique": 3607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.03,1.98],
"number_observations_unique": 3628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.09,2.03],
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.15,2.09],
"number_observations_unique": 3636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.22,2.15],
"number_observations_unique": 3638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.30,2.22],
"number_observations_unique": 3641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.39,2.30],
"number_observations_unique": 3640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.50,2.39],
"number_observations_unique": 3628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.63,2.50],
"number_observations_unique": 3653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.79,2.63],
"number_observations_unique": 3651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [3.01,2.79],
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [3.31,3.01],
"number_observations_unique": 3662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [3.79,3.31],
"number_observations_unique": 3663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [4.78,3.79],
"number_observations_unique": 3684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [50.00,4.78],
"number_observations_unique": 3737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 6.00
}
]
}
]
}