Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f04a265c9b7870143571c415735de4df",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 45.078,
"b": 45.078,
"c": 78.687,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.500],
"number_observations": 85864,
"number_observations_unique": 13259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 1141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.780,1.690],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.890,1.780],
"number_observations_unique": 1349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.560,2.240],
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.230,2.560],
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [100.000,3.230],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}