Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2504a5a08c7eb2a6b5f01384e0bbf4a6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.669,
"b": 68.431,
"c": 131.081,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.450],
"number_observations_unique": 89726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.50,1.45],
"number_observations_unique": 8855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [1.56,1.50],
"number_observations_unique": 8877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [1.63,1.56],
"number_observations_unique": 8902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [1.72,1.63],
"number_observations_unique": 8907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [1.83,1.72],
"number_observations_unique": 8893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [1.97,1.83],
"number_observations_unique": 8940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [2.17,1.97],
"number_observations_unique": 8955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [2.48,2.17],
"number_observations_unique": 9018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [3.12,2.48],
"number_observations_unique": 9096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [50.00,3.12],
"number_observations_unique": 9283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 5.10
}
]
}
]
}