Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc4d74ac37a135084a4b8ae92d6215ba",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 69.35,
"b": 83.24,
"c": 119.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.400],
"number_observations": 85853,
"number_observations_unique": 13812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 17.070
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.400],
"number_observations": 9381,
"number_observations_unique": 1541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 3.810
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [2.600,2.500],
"number_observations": 8888,
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 5.430
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations": 7301,
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 7.040
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.900,2.700],
"number_observations": 11249,
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 10.370
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.200,2.900],
"number_observations": 13519,
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 15.830
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.500,3.200],
"number_observations": 8735,
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 20.910
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 8621,
"number_observations_unique": 1469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 24.020
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.500,4.000],
"number_observations": 5650,
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 30.990
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.000,4.500],
"number_observations": 3413,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 33.010
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 3782,
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 30.860
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [7.000,6.000],
"number_observations": 2067,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 32.920
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [8.000,7.000],
"number_observations": 1126,
"number_observations_unique": 191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.760
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [9.000,8.000],
"number_observations": 658,
"number_observations_unique": 119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 34.950
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [10.000,9.000],
"number_observations": 371,
"number_observations_unique": 71,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 35.390
},
{
"type": "Completeness",
"value": 93.400
}
]
},
{
"resolution_limits": [15.000,10.000],
"number_observations": 763,
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.130
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [20.000,15.000],
"number_observations": 207,
"number_observations_unique": 42,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 32.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [30.000,20.000],
"number_observations": 100,
"number_observations_unique": 23,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 30.810
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50,30.000],
"number_observations": 22,
"number_observations_unique": 8,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 26.280
},
{
"type": "Completeness",
"value": 66.700
}
]
}
]
}