Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62b5a90f18dc12e2b95cc0f6ee2c6516",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.396,
"b": 53.936,
"c": 75.085,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.81,1.120],
"number_observations": 305197,
"number_observations_unique": 50543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 24.190
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.020
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.120],
"number_observations": 15118,
"number_observations_unique": 3268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 4.626
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.180,1.150],
"number_observations": 20932,
"number_observations_unique": 3547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 10.960
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.901
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.220,1.180],
"number_observations": 20448,
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 11.940
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.859
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.250,1.220],
"number_observations": 19839,
"number_observations_unique": 3438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.771
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.300,1.250],
"number_observations": 20726,
"number_observations_unique": 3305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 15.980
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.271
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.340,1.300],
"number_observations": 20128,
"number_observations_unique": 3238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 17.890
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.216
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 18689,
"number_observations_unique": 3076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 19.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.076
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.450,1.390],
"number_observations": 17991,
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 22.790
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.973
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 18678,
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 27.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.450
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.590,1.510],
"number_observations": 17748,
"number_observations_unique": 2752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 31.980
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.449
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.670,1.590],
"number_observations": 16648,
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 35.170
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.304
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.770,1.670],
"number_observations": 14807,
"number_observations_unique": 2515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 37.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.887
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.900,1.770],
"number_observations": 15651,
"number_observations_unique": 2369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 44.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.607
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 14244,
"number_observations_unique": 2205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 47.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.460
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.240,2.050],
"number_observations": 12653,
"number_observations_unique": 2023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 49.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.255
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.510,2.240],
"number_observations": 10609,
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 48.080
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.682
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.900,2.510],
"number_observations": 10826,
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 53.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.597
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.550,2.900],
"number_observations": 9026,
"number_observations_unique": 1421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 54.020
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.352
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.020,3.550],
"number_observations": 6268,
"number_observations_unique": 1113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 51.940
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.632
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.810,5.020],
"number_observations": 4168,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 53.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.166
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}