Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "face6a2f2f5c37a330e0569b390a9689",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 72.22,
"b": 72.22,
"c": 268.48,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.150],
"number_observations": 328897,
"number_observations_unique": 45360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 26.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 24398,
"number_observations_unique": 3294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations": 23866,
"number_observations_unique": 3237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 4.610
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations": 23225,
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 5.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 22459,
"number_observations_unique": 3036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations": 21827,
"number_observations_unique": 2945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 9.280
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.570,2.480],
"number_observations": 21131,
"number_observations_unique": 2857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 11.290
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations": 20346,
"number_observations_unique": 2761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 14.380
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations": 19778,
"number_observations_unique": 2687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.900,2.780],
"number_observations": 18832,
"number_observations_unique": 2558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 22.320
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations": 17830,
"number_observations_unique": 2433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 26.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.210,3.040],
"number_observations": 17174,
"number_observations_unique": 2346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 33.790
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.400,3.210],
"number_observations": 16069,
"number_observations_unique": 2215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 41.320
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.630,3.400],
"number_observations": 15085,
"number_observations_unique": 2108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 47.540
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.930,3.630],
"number_observations": 13845,
"number_observations_unique": 1953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 54.990
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.300,3.930],
"number_observations": 12779,
"number_observations_unique": 1821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 57.770
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.810,4.300],
"number_observations": 11612,
"number_observations_unique": 1670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 62.150
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [5.550,4.810],
"number_observations": 10254,
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 62.000
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.800,5.550],
"number_observations": 8723,
"number_observations_unique": 1259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 61.340
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.620,6.800],
"number_observations": 6670,
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 64.380
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [50,9.620],
"number_observations": 2994,
"number_observations_unique": 557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 60.450
},
{
"type": "Completeness",
"value": 91.500
}
]
}
]
}