Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a80c938d283284523dfdd141813d6b1e",
"space_group_name": "P 1",
"unit_cell": {
"a": 54.153,
"b": 75.989,
"c": 80.970,
"alpha": 105.69,
"beta": 107.32,
"gamma": 106.93
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.380],
"number_observations_unique": 214983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations_unique": 10428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.430,1.400],
"number_observations_unique": 10492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.460,1.430],
"number_observations_unique": 10458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.490,1.460],
"number_observations_unique": 10567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.520,1.490],
"number_observations_unique": 10538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.550,1.520],
"number_observations_unique": 10633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.590,1.550],
"number_observations_unique": 10675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.640,1.590],
"number_observations_unique": 10657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.680,1.640],
"number_observations_unique": 10658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.740,1.680],
"number_observations_unique": 10739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.800,1.740],
"number_observations_unique": 10755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.870,1.800],
"number_observations_unique": 10765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.960,1.870],
"number_observations_unique": 10770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.060,1.960],
"number_observations_unique": 10910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.190,2.060],
"number_observations_unique": 10889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.360,2.190],
"number_observations_unique": 10925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.600,2.360],
"number_observations_unique": 10963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.970,2.600],
"number_observations_unique": 11035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.750,2.970],
"number_observations_unique": 11012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [50.000,3.750],
"number_observations_unique": 11114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}