Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd64f3c2cb13550b7570c6cb2ca865c1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.40,
"b": 58.92,
"c": 104.81,
"alpha": 90.0,
"beta": 97.4,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.850],
"number_observations": 252073,
"number_observations_unique": 60449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 13.320
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.17
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 18710,
"number_observations_unique": 4463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "I/SigI",
"value": 2.620
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.19
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 18037,
"number_observations_unique": 4315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 3.260
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 17660,
"number_observations_unique": 4212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 4.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 17229,
"number_observations_unique": 4098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 5.180
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 16658,
"number_observations_unique": 3968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 6.210
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations": 16093,
"number_observations_unique": 3838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 7.520
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 15588,
"number_observations_unique": 3727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations": 15040,
"number_observations_unique": 3578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 10.090
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 14262,
"number_observations_unique": 3398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 11.060
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations": 13834,
"number_observations_unique": 3305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 13.090
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations": 13155,
"number_observations_unique": 3138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 15.140
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations": 12368,
"number_observations_unique": 2969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 17.380
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations": 11456,
"number_observations_unique": 2753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 20.570
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations": 10717,
"number_observations_unique": 2591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 24.340
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations": 9785,
"number_observations_unique": 2385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 27.730
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations": 8918,
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 31.790
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations": 7842,
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 33.530
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations": 6837,
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 32.240
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations": 5224,
"number_observations_unique": 1271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 32.650
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [50,8.270],
"number_observations": 2660,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 37.060
},
{
"type": "Completeness",
"value": 97.000
}
]
}
]
}