Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4686174ce4fa37ab823714d836df7a42",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 25.348,
"b": 55.219,
"c": 89.746,
"alpha": 90.00,
"beta": 91.17,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.027,1.600],
"number_observations_unique": 16003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 10548,
"number_observations_unique": 2292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.790,1.690],
"number_observations": 9932,
"number_observations_unique": 2163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.910,1.790],
"number_observations": 9288,
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.070,1.910],
"number_observations": 8814,
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.260,2.070],
"number_observations": 8079,
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.530,2.260],
"number_observations": 7412,
"number_observations_unique": 1610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.920,2.530],
"number_observations": 6581,
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.580,2.920],
"number_observations": 5670,
"number_observations_unique": 1245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [5.060,3.580],
"number_observations": 4285,
"number_observations_unique": 955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [44.864,5.060],
"number_observations": 2407,
"number_observations_unique": 535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
}
]
}
]
}