Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73831af9e3c09596f815617a94cb05d0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 435.26,
"b": 287.54,
"c": 304.02,
"alpha": 90.00,
"beta": 98.97,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.99,3.000],
"number_observations": 11042307,
"number_observations_unique": 1468990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 7.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.45
}
]
},
"refln_shells": [
{
"resolution_limits": [3.100,3.000],
"number_observations": 1023053,
"number_observations_unique": 137316,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.415
},
{
"type": "R(meas)",
"value": 2.593
},
{
"type": "I/SigI",
"value": 0.970
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.200,3.100],
"number_observations": 902290,
"number_observations_unique": 120799,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.544
},
{
"type": "R(meas)",
"value": 1.658
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations": 811788,
"number_observations_unique": 106460,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.128
},
{
"type": "R(meas)",
"value": 1.209
},
{
"type": "I/SigI",
"value": 1.890
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.400,3.300],
"number_observations": 690765,
"number_observations_unique": 94313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.910
},
{
"type": "R(meas)",
"value": 0.979
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.500,3.400],
"number_observations": 641158,
"number_observations_unique": 83988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "I/SigI",
"value": 2.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.600,3.500],
"number_observations": 573688,
"number_observations_unique": 74810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "I/SigI",
"value": 3.560
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.800,3.600],
"number_observations": 940854,
"number_observations_unique": 127089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 4.490
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.800],
"number_observations": 787266,
"number_observations_unique": 103032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 6.050
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.200,4.000],
"number_observations": 627356,
"number_observations_unique": 84277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 7.280
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.400,4.200],
"number_observations": 528993,
"number_observations_unique": 69761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 8.540
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.600,4.400],
"number_observations": 448223,
"number_observations_unique": 58103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 9.820
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.600],
"number_observations": 669847,
"number_observations_unique": 90224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 11.030
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.000,5.000],
"number_observations": 1827158,
"number_observations_unique": 240537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 280606,
"number_observations_unique": 38073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 19.560
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50.000,10.000],
"number_observations": 288440,
"number_observations_unique": 39996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 23.570
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [75.000,50.000],
"number_observations": 822,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.060
},
{
"type": "Completeness",
"value": 87.200
}
]
},
{
"resolution_limits": [73.99,75.000],
"quality_factors": [
]
}
]
}