Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f371833a1e37f42d84ef5e04b5a4d01",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 146.01,
"b": 112.69,
"c": 90.81,
"alpha": 90.00,
"beta": 114.18,
"gamma": 90.00
},
"wavelengths": [0.97863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.742,3.500],
"number_observations_unique": 16932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 7.160
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.76
}
]
},
"refln_shells": [
{
"resolution_limits": [3.590,3.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.956
},
{
"type": "I/SigI",
"value": 1.050
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [3.690,3.590],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.592
},
{
"type": "I/SigI",
"value": 1.330
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.800,3.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.048
},
{
"type": "I/SigI",
"value": 2.040
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.910,3.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "I/SigI",
"value": 2.460
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.040,3.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 3.350
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.180,4.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 4.030
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [4.340,4.180],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.520,4.340],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.720,4.520],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 7.040
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.950,4.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 7.810
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.220,4.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 8.750
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [5.530,5.220],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [5.920,5.530],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 7.540
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.390,5.920],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 8.420
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [7.000,6.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 10.510
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [7.830,7.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 15.390
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [9.040,7.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 21.880
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [11.070,9.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 26.210
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [15.650,11.070],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 27.090
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [19.742,15.650],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 28.520
},
{
"type": "Completeness",
"value": 49.000
}
]
}
]
}