Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72c20b0bccea850aa50b4549c84f0d44",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.52,
"b": 81.96,
"c": 93.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.150],
"number_observations_unique": 23367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 14.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
"refln_shells": [
{
"resolution_limits": [2.21,2.15],
"number_observations_unique": 1716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.27,2.21],
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.33,2.27],
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.40,2.33],
"number_observations_unique": 1557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.48,2.40],
"number_observations_unique": 1541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.57,2.48],
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.67,2.57],
"number_observations_unique": 1419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.78,2.67],
"number_observations_unique": 1375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.90,2.78],
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [3.04,2.90],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.21,3.04],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.40,3.21],
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 20.6
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.63,3.40],
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 23.9
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [3.93,3.63],
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 26.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.30,3.93],
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 31.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.81,4.30],
"number_observations_unique": 848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 36.0
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [5.55,4.81],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 34.3
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [6.80,5.55],
"number_observations_unique": 656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 31.5
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [9.62,6.80],
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 34.6
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [50.0,9.62],
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 37.1
},
{
"type": "Completeness",
"value": 97.40
}
]
}
]
}