Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a0709886bc34f2904f150e19c1dfbd3c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.61,
"b": 116.45,
"c": 66.24,
"alpha": 90.00,
"beta": 101.15,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.550],
"number_observations": 405555,
"number_observations_unique": 118431,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.520
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.550],
"number_observations": 29638,
"number_observations_unique": 8742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.505
},
{
"type": "R(meas)",
"value": 0.633
},
{
"type": "I/SigI",
"value": 2.30
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations": 29243,
"number_observations_unique": 8486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 3.060
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations": 28389,
"number_observations_unique": 8290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 27268,
"number_observations_unique": 8037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 4.740
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 24734,
"number_observations_unique": 7743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 5.870
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 24388,
"number_observations_unique": 7512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 7.860
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations": 26194,
"number_observations_unique": 7300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 10.330
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.000,1.920],
"number_observations": 25216,
"number_observations_unique": 7064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 12.550
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.090,2.000],
"number_observations": 23904,
"number_observations_unique": 6739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 16.090
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations": 22602,
"number_observations_unique": 6439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 18.910
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations": 21294,
"number_observations_unique": 6139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 22.290
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations": 18979,
"number_observations_unique": 5770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 24.710
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations": 16812,
"number_observations_unique": 5386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 26.550
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.830,2.620],
"number_observations": 18469,
"number_observations_unique": 5088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.100,2.830],
"number_observations": 16997,
"number_observations_unique": 4714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.470,3.100],
"number_observations": 15035,
"number_observations_unique": 4253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 49.840
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.000,3.470],
"number_observations": 12709,
"number_observations_unique": 3745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 54.900
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.900,4.000],
"number_observations": 9511,
"number_observations_unique": 3100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 57.070
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [6.930,4.900],
"number_observations": 9193,
"number_observations_unique": 2476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 59.770
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50,6.930],
"number_observations": 4980,
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 62.320
},
{
"type": "Completeness",
"value": 98.500
}
]
}
]
}