Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ab15e3161babb18fc1225fc446ca417",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.003,
"b": 103.062,
"c": 100.904,
"alpha": 90.00,
"beta": 103.98,
"gamma": 90.00
},
"wavelengths": [0.97629],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.0,2.240],
"number_observations_unique": 78093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.240],
"number_observations": 63192,
"number_observations_unique": 8617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 45013,
"number_observations_unique": 5908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations": 45170,
"number_observations_unique": 5919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.560,2.480],
"number_observations": 39683,
"number_observations_unique": 5196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.660,2.560],
"number_observations": 43483,
"number_observations_unique": 5691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [2.760,2.660],
"number_observations": 37412,
"number_observations_unique": 4882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
{
"resolution_limits": [2.880,2.760],
"number_observations": 38385,
"number_observations_unique": 5010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 16.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
{
"resolution_limits": [3.010,2.880],
"number_observations": 35094,
"number_observations_unique": 4576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
{
"resolution_limits": [3.160,3.010],
"number_observations": 33783,
"number_observations_unique": 4410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 22.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
{
"resolution_limits": [3.350,3.160],
"number_observations": 34100,
"number_observations_unique": 4447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 25.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
{
"resolution_limits": [3.560,3.350],
"number_observations": 30082,
"number_observations_unique": 3937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 27.6
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [3.830,3.560],
"number_observations": 29123,
"number_observations_unique": 3815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 28.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [4.160,3.830],
"number_observations": 26373,
"number_observations_unique": 3463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 30.4
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [4.590,4.160],
"number_observations": 23878,
"number_observations_unique": 3139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 31.4
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [5.200,4.590],
"number_observations": 21756,
"number_observations_unique": 2865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 32.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [6.140,5.200],
"number_observations": 18827,
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 33.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [7.870,6.140],
"number_observations": 15297,
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 35.5
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [12.200,7.870],
"number_observations": 9264,
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.1
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [80.0,12.200],
"number_observations": 2108,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 32.0
},
{
"type": "Completeness",
"value": 73.500
},
{
"type": "Redundancy",
"value": 5.5
}
]
}
]
}