Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbc90d39e73d92de58acffe82029a7aa",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 108.001,
"b": 108.001,
"c": 254.275,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.40],
"number_observations_unique": 20891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.40],
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 57.40
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.59,2.49],
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 71.20
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.70,2.59],
"number_observations_unique": 2031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 90.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.85,2.70],
"number_observations_unique": 2251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [3.02,2.85],
"number_observations_unique": 2235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [3.26,3.02],
"number_observations_unique": 2256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [3.58,3.26],
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [4.10,3.58],
"number_observations_unique": 2277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [5.17,4.10],
"number_observations_unique": 2308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [50.00,5.17],
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 5.10
}
]
}
]
}