Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ccb688d11e413d4d9fbf6ae9a369638a",
"space_group_name": "P 1",
"unit_cell": {
"a": 87.54,
"b": 100.78,
"c": 101.61,
"alpha": 67.50,
"beta": 85.86,
"gamma": 89.78
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,1.85],
"number_observations": 978057,
"number_observations_unique": 266309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 17.69
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.85],
"number_observations": 72684,
"number_observations_unique": 19483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.64
},
{
"type": "R(meas)",
"value": 0.750
},
{
"type": "I/SigI",
"value": 1.96
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 70711,
"number_observations_unique": 18989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 2.780
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 68988,
"number_observations_unique": 18516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 67085,
"number_observations_unique": 18020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 4.640
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 65187,
"number_observations_unique": 17516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 6.220
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations": 62968,
"number_observations_unique": 16943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 8.040
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 61040,
"number_observations_unique": 16469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 9.990
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations": 58469,
"number_observations_unique": 15765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 11.770
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 56141,
"number_observations_unique": 15171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations": 53707,
"number_observations_unique": 14562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 17.190
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations": 50746,
"number_observations_unique": 13823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 21.250
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations": 47804,
"number_observations_unique": 13120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 25.540
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations": 44884,
"number_observations_unique": 12358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 29.990
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations": 41412,
"number_observations_unique": 11540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 34.820
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations": 37224,
"number_observations_unique": 10504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 40.190
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations": 33025,
"number_observations_unique": 9501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 43.770
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations": 29511,
"number_observations_unique": 8441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 46.850
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations": 25645,
"number_observations_unique": 7118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 47.550
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations": 20163,
"number_observations_unique": 5497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 50.330
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [40,8.270],
"number_observations": 10663,
"number_observations_unique": 2973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 52.910
},
{
"type": "Completeness",
"value": 96.500
}
]
}
]
}