Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff9c17f5be3550c006b0a0da12e02e16",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.349,
"b": 53.790,
"c": 75.227,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.61,1.120],
"number_observations": 309254,
"number_observations_unique": 50780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 22.320
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.120
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.120],
"number_observations": 15104,
"number_observations_unique": 3380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 4.469
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.180,1.150],
"number_observations": 21449,
"number_observations_unique": 3611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 8.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.940
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.220,1.180],
"number_observations": 20795,
"number_observations_unique": 3533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 9.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.886
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.250,1.220],
"number_observations": 20238,
"number_observations_unique": 3479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 10.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.817
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.300,1.250],
"number_observations": 20946,
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 12.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.334
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.340,1.300],
"number_observations": 20537,
"number_observations_unique": 3239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.341
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 19304,
"number_observations_unique": 3099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 16.360
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.229
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.450,1.390],
"number_observations": 18463,
"number_observations_unique": 3014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 18.740
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.126
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 18953,
"number_observations_unique": 2877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 21.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.588
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.590,1.510],
"number_observations": 18094,
"number_observations_unique": 2759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 26.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.558
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.670,1.590],
"number_observations": 16985,
"number_observations_unique": 2638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 30.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.439
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.770,1.670],
"number_observations": 14955,
"number_observations_unique": 2501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 33.220
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.980
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.900,1.770],
"number_observations": 15831,
"number_observations_unique": 2368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 40.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.685
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 14349,
"number_observations_unique": 2205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 45.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.507
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.240,2.050],
"number_observations": 12721,
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 47.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.276
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.510,2.240],
"number_observations": 10568,
"number_observations_unique": 1872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 47.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.645
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.900,2.510],
"number_observations": 10634,
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 53.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.480
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.550,2.900],
"number_observations": 8894,
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 55.140
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.290
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.020,3.550],
"number_observations": 6281,
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 53.440
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.628
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.610,5.020],
"number_observations": 4153,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 55.490
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.143
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}