Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "672c887b281e7a776bde08403601a6fc",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 46.552,
"b": 136.601,
"c": 45.084,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07109],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.670],
"number_observations": 138760,
"number_observations_unique": 32466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "Completeness",
"value": 79.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 1404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 1508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.840,1.800],
"number_observations_unique": 1547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.880,1.840],
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.980,1.930],
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.040,1.980],
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.100,2.040],
"number_observations_unique": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.180,2.100],
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.270,2.180],
"number_observations_unique": 1697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.370,2.270],
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.490,2.370],
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.650,2.490],
"number_observations_unique": 1706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.860,2.650],
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [3.140,2.860],
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.600,3.140],
"number_observations_unique": 1724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [4.530,3.600],
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [50.000,4.530],
"number_observations_unique": 1819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
}
]
}