Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d33a5b9643633711a5fe087befd75436",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.47,
"b": 98.63,
"c": 73.21,
"alpha": 90.00,
"beta": 110.96,
"gamma": 90.00
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.750],
"number_observations_unique": 91609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 12.560
},
{
"type": "Completeness",
"value": 98.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 12936,
"number_observations_unique": 5855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 1.960
},
{
"type": "Completeness",
"value": 85.300
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations": 18400,
"number_observations_unique": 6603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.940
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 20594,
"number_observations_unique": 6549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 4.110
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 19828,
"number_observations_unique": 6293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 19457,
"number_observations_unique": 6162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.740
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.100,2.030],
"number_observations": 18727,
"number_observations_unique": 5930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 8.320
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.180,2.100],
"number_observations": 18015,
"number_observations_unique": 5694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 9.860
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations": 17454,
"number_observations_unique": 5530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 11.750
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.370,2.260],
"number_observations": 16712,
"number_observations_unique": 5286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 13.240
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations": 15998,
"number_observations_unique": 5048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 14.530
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.620,2.480],
"number_observations": 15286,
"number_observations_unique": 4841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 16.130
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.770,2.620],
"number_observations": 14224,
"number_observations_unique": 4482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 17.860
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.970,2.770],
"number_observations": 13502,
"number_observations_unique": 4276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 19.870
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.200,2.970],
"number_observations": 12503,
"number_observations_unique": 3975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 21.460
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.510,3.200],
"number_observations": 11419,
"number_observations_unique": 3632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 23.470
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.920,3.510],
"number_observations": 10266,
"number_observations_unique": 3281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 24.750
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [4.530,3.920],
"number_observations": 9007,
"number_observations_unique": 2906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 25.550
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [5.550,4.530],
"number_observations": 7639,
"number_observations_unique": 2455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 25.750
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [7.850,5.550],
"number_observations": 6031,
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 25.680
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [50.00,7.850],
"number_observations": 2679,
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 25.790
},
{
"type": "Completeness",
"value": 82.500
}
]
}
]
}