Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e226a561385da5326ca460ac7a6ee912",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.313,
"b": 74.260,
"c": 91.570,
"alpha": 90.00,
"beta": 108.66,
"gamma": 90.00
},
"wavelengths": [0.82661],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.260,1.420],
"number_observations": 1192219,
"number_observations_unique": 176873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.50,1.42],
"number_observations": 118275,
"number_observations_unique": 21090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "R(meas)",
"value": 0.45
},
{
"type": "R(pim)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 79.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [1.59,1.50],
"number_observations": 171340,
"number_observations_unique": 25006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.32
},
{
"type": "R(pim)",
"value": 0.12
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [1.70,1.59],
"number_observations": 161966,
"number_observations_unique": 23616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.21
},
{
"type": "R(pim)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [1.83,1.70],
"number_observations": 151777,
"number_observations_unique": 21970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [2.01,1.83],
"number_observations": 138563,
"number_observations_unique": 20242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.25,2.01],
"number_observations": 124324,
"number_observations_unique": 18323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [2.59,2.25],
"number_observations": 113745,
"number_observations_unique": 16283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [3.18,2.59],
"number_observations": 97329,
"number_observations_unique": 13729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [4.49,3.18],
"number_observations": 74699,
"number_observations_unique": 10681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [74.26,4.49],
"number_observations": 40201,
"number_observations_unique": 5933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 6.80
}
]
}
]
}