Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00e14c8f49db3fb87c457e7bb0fbeba1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.12,
"b": 74.65,
"c": 77.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45,2.100],
"number_observations_unique": 22558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 25.190
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.07
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.100],
"number_observations": 11660,
"number_observations_unique": 2894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 5.080
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.300,2.200],
"number_observations": 10122,
"number_observations_unique": 2399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 7.010
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.400,2.300],
"number_observations": 8352,
"number_observations_unique": 2029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 9.260
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations": 6905,
"number_observations_unique": 1727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 11.250
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.600,2.500],
"number_observations": 6253,
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 14.230
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations": 5288,
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.800,2.700],
"number_observations": 4617,
"number_observations_unique": 1102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 19.870
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.800],
"number_observations": 7141,
"number_observations_unique": 1781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 24.090
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 11881,
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 35.670
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 6458,
"number_observations_unique": 1622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 50.860
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 6707,
"number_observations_unique": 1635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 60.630
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 2721,
"number_observations_unique": 734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 56.710
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 3074,
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 61.360
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [45,10.000],
"number_observations": 793,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 65.950
},
{
"type": "Completeness",
"value": 98.000
}
]
}
]
}