Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e978dde8739bf1dd095fdc8d9970aee8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 110.78,
"b": 53.30,
"c": 37.86,
"alpha": 90.00,
"beta": 98.31,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.934,1.500],
"number_observations": 103701,
"number_observations_unique": 34544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 8.660
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 6972,
"number_observations_unique": 2479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.691
},
{
"type": "I/SigI",
"value": 1.770
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations": 7368,
"number_observations_unique": 2473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 2.040
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [1.630,1.580],
"number_observations": 7456,
"number_observations_unique": 2434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 2.430
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations": 7094,
"number_observations_unique": 2331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 6778,
"number_observations_unique": 2266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 6408,
"number_observations_unique": 2183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [1.860,1.790],
"number_observations": 5967,
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 4.660
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations": 6411,
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.020,1.940],
"number_observations": 6057,
"number_observations_unique": 1968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 6.950
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.120,2.020],
"number_observations": 5865,
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 8.660
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.240,2.120],
"number_observations": 5359,
"number_observations_unique": 1774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 10.570
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.370,2.240],
"number_observations": 4785,
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 11.450
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [2.540,2.370],
"number_observations": 5113,
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 13.640
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations": 4677,
"number_observations_unique": 1491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.000,2.740],
"number_observations": 4215,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 17.860
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.350,3.000],
"number_observations": 3502,
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 19.140
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [3.870,3.350],
"number_observations": 3460,
"number_observations_unique": 1115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 24.010
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.740,3.870],
"number_observations": 2939,
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [6.710,4.740],
"number_observations": 2052,
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [47.934,6.710],
"number_observations": 1223,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 27.710
},
{
"type": "Completeness",
"value": 94.800
}
]
}
]
}