Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3018cfa9c4490fb753a316b48d71cd0e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 106.15,
"b": 177.39,
"c": 299.90,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.23980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.887,3.81],
"number_observations": 256794,
"number_observations_unique": 45806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 4.830
},
{
"type": "Completeness",
"value": 80.800
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
"refln_shells": [
{
"resolution_limits": [4.200,3.81],
"number_observations": 9932,
"number_observations_unique": 5499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.843
},
{
"type": "R(meas)",
"value": 1.081
},
{
"type": "I/SigI",
"value": 0.690
},
{
"type": "Completeness",
"value": 38.000
},
{
"type": "Redundancy",
"value": 1.8
}
]
},
{
"resolution_limits": [4.500,4.200],
"number_observations": 18160,
"number_observations_unique": 6378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "R(meas)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 82.300
}
]
},
{
"resolution_limits": [5.000,4.500],
"number_observations": 32448,
"number_observations_unique": 8731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 0.863
},
{
"type": "I/SigI",
"value": 1.820
},
{
"type": "Completeness",
"value": 95.200
}
]
},
{
"resolution_limits": [5.500,5.000],
"number_observations": 32470,
"number_observations_unique": 6135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.776
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "I/SigI",
"value": 2.280
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [6.000,5.500],
"number_observations": 25627,
"number_observations_unique": 4296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.200,6.000],
"number_observations": 8578,
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 3.990
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.500,6.200],
"number_observations": 11932,
"number_observations_unique": 1732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 4.550
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.800,6.500],
"number_observations": 10364,
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 5.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.000,6.800],
"number_observations": 7158,
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 6.330
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.200,7.000],
"number_observations": 6317,
"number_observations_unique": 748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 6.550
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.500,7.200],
"number_observations": 8620,
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.800,7.500],
"number_observations": 8683,
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 9.490
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.000,7.800],
"number_observations": 5016,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 9.960
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.000,8.000],
"number_observations": 21517,
"number_observations_unique": 1858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 13.830
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,9.000],
"number_observations": 14164,
"number_observations_unique": 1189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 18.110
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 31389,
"number_observations_unique": 2881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 20.150
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [57.887,20.000],
"number_observations": 4419,
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 94.600
}
]
}
]
}