Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bfcdda31c5ac34eaf56b15c33217480a",
"space_group_name": "P 32",
"unit_cell": {
"a": 41.733,
"b": 41.733,
"c": 193.552,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.15,2.150],
"number_observations": 64802,
"number_observations_unique": 17707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 15.860
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 3.66
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 2278,
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.650
},
{
"type": "Completeness",
"value": 59.400
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations": 1231,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 13.360
},
{
"type": "Completeness",
"value": 44.600
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations": 2454,
"number_observations_unique": 987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 3.750
},
{
"type": "Completeness",
"value": 67.100
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 2878,
"number_observations_unique": 1150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 4.490
},
{
"type": "Completeness",
"value": 84.100
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations": 3151,
"number_observations_unique": 1149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 5.720
},
{
"type": "Completeness",
"value": 84.400
}
]
},
{
"resolution_limits": [2.570,2.480],
"number_observations": 3491,
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 7.150
},
{
"type": "Completeness",
"value": 91.000
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations": 3500,
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 8.510
},
{
"type": "Completeness",
"value": 88.000
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations": 3694,
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 8.810
},
{
"type": "Completeness",
"value": 93.000
}
]
},
{
"resolution_limits": [2.900,2.780],
"number_observations": 4199,
"number_observations_unique": 1111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 12.280
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations": 4579,
"number_observations_unique": 1094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 16.080
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.210,3.040],
"number_observations": 5184,
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 20.220
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.400,3.210],
"number_observations": 4851,
"number_observations_unique": 980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 22.410
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [3.630,3.400],
"number_observations": 3924,
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [3.930,3.630],
"number_observations": 3010,
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 25.390
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [4.300,3.930],
"number_observations": 3941,
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 30.160
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.810,4.300],
"number_observations": 3421,
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 31.910
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [5.550,4.810],
"number_observations": 2657,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 29.460
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [6.800,5.550],
"number_observations": 2763,
"number_observations_unique": 551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 30.740
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.620,6.800],
"number_observations": 2307,
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.610
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [36.15,9.620],
"number_observations": 1289,
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 38.190
},
{
"type": "Completeness",
"value": 100.000
}
]
}
]
}