Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d227a9aa4da5ef0ed8b271493d8df384",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 77.900,
"b": 88.878,
"c": 138.509,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 25672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.18,2.10],
"number_observations_unique": 1508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "Completeness",
"value": 53.70
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [2.26,2.18],
"number_observations_unique": 2004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "Completeness",
"value": 71.70
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [2.37,2.26],
"number_observations_unique": 2450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "Completeness",
"value": 86.50
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations_unique": 2675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations_unique": 2733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.85,2.65],
"number_observations_unique": 2780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [3.14,2.85],
"number_observations_unique": 2814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [3.59,3.14],
"number_observations_unique": 2828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [4.52,3.59],
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [50.00,4.52],
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.10
}
]
}
]
}