Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aabbe8dc99d18fecaeab41217d096740",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.667,
"b": 38.479,
"c": 62.560,
"alpha": 90.00,
"beta": 88.42,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 7983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 22.816
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.10],
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "Completeness",
"value": 94.50
},
{
"type": "Redundancy",
"value": 8.20
}
]
},
{
"resolution_limits": [2.18,2.14],
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 8.50
}
]
},
{
"resolution_limits": [2.22,2.18],
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [2.26,2.22],
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 9.30
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 10.00
}
]
},
{
"resolution_limits": [2.37,2.31],
"number_observations_unique": 377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 10.20
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 10.80
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [2.56,2.49],
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 11.20
}
]
},
{
"resolution_limits": [2.65,2.56],
"number_observations_unique": 396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 11.30
}
]
},
{
"resolution_limits": [2.74,2.65],
"number_observations_unique": 395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 11.30
}
]
},
{
"resolution_limits": [2.85,2.74],
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 11.20
}
]
},
{
"resolution_limits": [2.98,2.85],
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 11.30
}
]
},
{
"resolution_limits": [3.14,2.98],
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 11.30
}
]
},
{
"resolution_limits": [3.33,3.14],
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 11.20
}
]
},
{
"resolution_limits": [3.59,3.33],
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [3.95,3.59],
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [4.52,3.95],
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 10.60
}
]
},
{
"resolution_limits": [5.70,4.52],
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [50.00,5.70],
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 10.50
}
]
}
]
}