Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3db9451c19fea34d17fddbeb4cd3cfff",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 78.52,
"b": 96.12,
"c": 78.05,
"alpha": 90.00,
"beta": 118.49,
"gamma": 90.00
},
"wavelengths": [0.97910,0.97940,0.95000,1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.750],
"number_observations_unique": 50708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.75],
"number_observations_unique": 4888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "Completeness",
"value": 95.70
}
]
},
{
"resolution_limits": [1.89,1.81],
"number_observations_unique": 5051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [1.97,1.89],
"number_observations_unique": 5074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.07,1.97],
"number_observations_unique": 5117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.20,2.07],
"number_observations_unique": 5084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.38,2.20],
"number_observations_unique": 5091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.61,2.38],
"number_observations_unique": 5107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.99,2.61],
"number_observations_unique": 5118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.77,2.99],
"number_observations_unique": 5103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [50.00,3.77],
"number_observations_unique": 5075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 97.70
}
]
}
]
}