Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3e34f65e83fa2ce9b57f8952216ec7b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.406,
"b": 66.460,
"c": 39.646,
"alpha": 90.00,
"beta": 117.54,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.900],
"number_observations_unique": 13666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 1317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.05,1.97],
"number_observations_unique": 1329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.14,2.05],
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.25,2.14],
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.39,2.25],
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.84,2.58],
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.25,2.84],
"number_observations_unique": 1384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.09,3.25],
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [30.00,4.09],
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Redundancy",
"value": 3.60
}
]
}
]
}