Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b62a6a371ddc7d49c128eae90564b59",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 210.464,
"b": 450.700,
"c": 621.065,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,3.600],
"number_observations": 3587145,
"number_observations_unique": 675413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 7.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.3
}
]
},
"refln_shells": [
{
"resolution_limits": [3.700,3.600],
"number_observations": 272092,
"number_observations_unique": 52893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.908
},
{
"type": "R(meas)",
"value": 1.011
},
{
"type": "I/SigI",
"value": 1.930
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.1
}
]
},
{
"resolution_limits": [3.800,3.700],
"number_observations": 255891,
"number_observations_unique": 47493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(meas)",
"value": 0.796
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.800],
"number_observations": 437178,
"number_observations_unique": 81531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.620
},
{
"type": "I/SigI",
"value": 3.280
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 1289211,
"number_observations_unique": 239590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 565071,
"number_observations_unique": 106333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 10.010
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 447794,
"number_observations_unique": 84854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 12.880
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 159237,
"number_observations_unique": 30491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 17.330
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 144090,
"number_observations_unique": 28396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 21.210
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [35.000,20.000],
"number_observations": 15237,
"number_observations_unique": 3391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 22.750
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [50,35.000],
"number_observations": 1344,
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 4.960
},
{
"type": "Completeness",
"value": 50.900
}
]
}
]
}