Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6daaf403d7dd34f22be60ece994554ae",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.748,
"b": 81.382,
"c": 92.808,
"alpha": 90.00,
"beta": 108.78,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.530,1.51],
"number_observations": 680520,
"number_observations_unique": 94065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.720
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.864
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.60,1.51],
"number_observations": 105231,
"number_observations_unique": 16146,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.338
},
{
"type": "R(meas)",
"value": 2.528
},
{
"type": "I/SigI",
"value": 0.43
},
{
"type": "Completeness",
"value": 0.958
},
{
"type": "Redundancy",
"value": 6.52
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
},
{
"resolution_limits": [1.71,1.60],
"number_observations": 104162,
"number_observations_unique": 15056,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.229
},
{
"type": "R(meas)",
"value": 1.328
},
{
"type": "I/SigI",
"value": 0.96
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.92
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [1.84,1.71],
"number_observations": 97273,
"number_observations_unique": 14135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 2.17
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [2.02,1.84],
"number_observations": 88790,
"number_observations_unique": 12968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 5.08
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.26,2.02],
"number_observations": 80355,
"number_observations_unique": 11748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 10.73
},
{
"type": "Completeness",
"value": 1.000
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.60,2.26],
"number_observations": 72998,
"number_observations_unique": 10371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 18.80
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.19,2.60],
"number_observations": 60008,
"number_observations_unique": 8807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 29.38
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.50,3.19],
"number_observations": 45760,
"number_observations_unique": 6819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 42.25
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.71
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.50],
"number_observations": 25942,
"number_observations_unique": 3872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 46.21
},
{
"type": "Completeness",
"value": 0.992
},
{
"type": "Redundancy",
"value": 6.70
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}