Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f770d2e3068051789802ce495e3f0d8",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 66.226,
"b": 66.226,
"c": 92.793,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.00,2.85],
"number_observations": 85703,
"number_observations_unique": 5787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.85],
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.1
}
]
},
{
"resolution_limits": [2.95,2.90],
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.9
}
]
},
{
"resolution_limits": [3.01,2.95],
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.2
}
]
},
{
"resolution_limits": [3.07,3.01],
"number_observations_unique": 522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
{
"resolution_limits": [3.14,3.07],
"number_observations_unique": 519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
{
"resolution_limits": [3.21,3.14],
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.6
}
]
},
{
"resolution_limits": [3.29,3.21],
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.6
}
]
},
{
"resolution_limits": [3.38,3.29],
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.6
}
]
},
{
"resolution_limits": [3.48,3.38],
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
{
"resolution_limits": [3.59,3.48],
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.2
}
]
},
{
"resolution_limits": [3.72,3.59],
"number_observations_unique": 519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [3.87,3.72],
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [4.04,3.87],
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [4.25,4.04],
"number_observations_unique": 526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [4.52,4.25],
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [4.87,4.52],
"number_observations_unique": 526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [5.36,4.87],
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
{
"resolution_limits": [6.12,5.36],
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [7.69,6.12],
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [30.00,7.69],
"number_observations_unique": 534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.9
}
]
}
]
}