Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c19a0c1a5cc711fb4ba9c3fb2214205c",
"space_group_name": "P 3",
"unit_cell": {
"a": 84.56,
"b": 84.56,
"c": 88.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.180,1.590],
"number_observations": 479681,
"number_observations_unique": 94111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.330
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.097
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.590],
"number_observations": 77977,
"number_observations_unique": 15241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.803
},
{
"type": "I/SigI",
"value": 2.010
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.116
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [1.810,1.690],
"number_observations": 72856,
"number_observations_unique": 14291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 3.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.098
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [1.950,1.810],
"number_observations": 65833,
"number_observations_unique": 13263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 6.270
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.964
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.140,1.950],
"number_observations": 65194,
"number_observations_unique": 12284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 10.560
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.307
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.390,2.140],
"number_observations": 54910,
"number_observations_unique": 11072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 14.460
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.959
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.760,2.390],
"number_observations": 51553,
"number_observations_unique": 9819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.250
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.370,2.760],
"number_observations": 41223,
"number_observations_unique": 8233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 22.110
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.007
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.750,3.370],
"number_observations": 32125,
"number_observations_unique": 6385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 24.880
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.031
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.180,4.750],
"number_observations": 18010,
"number_observations_unique": 3523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 25.050
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.112
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}