Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "207c691cb17d9f40722dd450564037f9",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.501,
"b": 66.762,
"c": 80.466,
"alpha": 81.57,
"beta": 84.21,
"gamma": 86.66
},
"wavelengths": [0.81500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.655,1.550],
"number_observations_unique": 133601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.55],
"number_observations": 28364,
"number_observations_unique": 18505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.44
},
{
"type": "R(pim)",
"value": 0.31
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 92.20
},
{
"type": "Redundancy",
"value": 1.50
}
]
},
{
"resolution_limits": [1.73,1.63],
"number_observations": 32207,
"number_observations_unique": 18452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.28
},
{
"type": "R(pim)",
"value": 0.20
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 1.70
}
]
},
{
"resolution_limits": [1.85,1.73],
"number_observations": 34175,
"number_observations_unique": 17426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.19
},
{
"type": "R(pim)",
"value": 0.13
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 97.20
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [2.00,1.85],
"number_observations": 31865,
"number_observations_unique": 16244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.13
},
{
"type": "R(pim)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [2.19,2.00],
"number_observations": 29588,
"number_observations_unique": 15062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "R(pim)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [2.45,2.19],
"number_observations": 26758,
"number_observations_unique": 13631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [2.83,2.45],
"number_observations": 23610,
"number_observations_unique": 12037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [3.47,2.83],
"number_observations": 20117,
"number_observations_unique": 10255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [4.90,3.47],
"number_observations": 15196,
"number_observations_unique": 7814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 1.90
}
]
},
{
"resolution_limits": [41.65,4.90],
"number_observations": 7901,
"number_observations_unique": 4175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 95.40
},
{
"type": "Redundancy",
"value": 1.90
}
]
}
]
}