Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8500e2333fec00cdb22483b60a71d2c",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 83.714,
"b": 99.707,
"c": 127.045,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.08090],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.4],
"number_observations_unique": 42318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 8.92
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.44,2.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "I/SigI",
"value": 2.60
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [50,6.51],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 9.86
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [6.51,5.17],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 9.96
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [5.17,4.52],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 10.84
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [4.52,4.10],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 10.22
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [4.10,3.81],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 9.17
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [3.81,3.58],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 5.26
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.58,3.41],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 9.23
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.41,3.26],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 10.10
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.26,3.13],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 9.85
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.13,3.02],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 8.70
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.02,2.93],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 8.74
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.93,2.85],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 7.90
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.85,2.77],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 7.02
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.77,2.70],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 6.14
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.70,2.64],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "I/SigI",
"value": 4.79
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.64,2.59],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 4.26
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.59,2.53],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 3.80
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.53,2.49],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "I/SigI",
"value": 3.67
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [2.49,2.44],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "I/SigI",
"value": 3.33
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.1
}
]
}
]
}