Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "924555f64fb230c48b9da3f7b331dad9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 133.796,
"b": 133.734,
"c": 103.450,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.230],
"number_observations_unique": 44632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.230],
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.290,2.260],
"number_observations_unique": 1780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.884
},
{
"type": "I/SigI",
"value": 1.89
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.330,2.290],
"number_observations_unique": 1787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.00
},
{
"type": "I/SigI",
"value": 1.83
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.360,2.330],
"number_observations_unique": 1797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 4.03
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.400,2.360],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 5.73
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.440,2.400],
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 6.54
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.490,2.440],
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 7.42
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.540,2.490],
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 8.63
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 1803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 9.52
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 1837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 10.43
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 1796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.45
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.770,2.700],
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 13.14
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.850,2.770],
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 15.15
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.930,2.850],
"number_observations_unique": 1803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 17.14
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.020,2.930],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 20.41
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.130,3.020],
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.06
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.260,3.130],
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 27.25
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.400,3.260],
"number_observations_unique": 1785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 31.07
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.580,3.400],
"number_observations_unique": 1787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 33.35
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.810,3.580],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 34.44
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.100,3.810],
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 39.91
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.510,4.100],
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 43.38
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.150,4.510],
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 43.48
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [6.450,5.150],
"number_observations_unique": 1790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 44.20
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [20.000,6.450],
"number_observations_unique": 1615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 99.76
},
{
"type": "Completeness",
"value": 83.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}