Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "252025a0102b86bfede5720ddf6209db",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 35.901,
"b": 56.722,
"c": 59.746,
"alpha": 90.00,
"beta": 107.22,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.2310,1.790],
"number_observations": 436641,
"number_observations_unique": 21433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 18.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.43
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 29351,
"number_observations_unique": 3045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "I/SigI",
"value": 3.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 30524,
"number_observations_unique": 3083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 5.450
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 31170,
"number_observations_unique": 2897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 6.950
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 31126,
"number_observations_unique": 2890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 8.310
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 29372,
"number_observations_unique": 2740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 9.880
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 28537,
"number_observations_unique": 2680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 11.610
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 27908,
"number_observations_unique": 2633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 25073,
"number_observations_unique": 2427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 14.590
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.420,2.320],
"number_observations": 23716,
"number_observations_unique": 2402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 15.930
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.540,2.420],
"number_observations": 22807,
"number_observations_unique": 2273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.680,2.540],
"number_observations": 21660,
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 20.750
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.840,2.680],
"number_observations": 22173,
"number_observations_unique": 2063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 24.950
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.040,2.840],
"number_observations": 21259,
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 28.930
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.280,3.040],
"number_observations": 19755,
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 34.150
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.600,3.280],
"number_observations": 17669,
"number_observations_unique": 1634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 38.450
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations": 15194,
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [4.640,4.020],
"number_observations": 12635,
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 44.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.690,4.640],
"number_observations": 11380,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 46.520
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.040,5.690],
"number_observations": 10037,
"number_observations_unique": 858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 46.280
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [40.2310,8.040],
"number_observations": 5295,
"number_observations_unique": 468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 54.900
},
{
"type": "Completeness",
"value": 99.400
}
]
}
]
}