Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd998f94406152b7115b9bf4f545c555",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 104.467,
"b": 128.235,
"c": 76.176,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations_unique": 56630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 2732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 2772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 2782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 2809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 2818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 2798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 2829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 2841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 2811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 2808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 2813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 2844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 2836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [2.910,2.700],
"number_observations_unique": 2860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [3.200,2.910],
"number_observations_unique": 2876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 2860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [4.610,3.660],
"number_observations_unique": 2904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [50.000,4.610],
"number_observations_unique": 2970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.900
}
]
}
]
}