Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "599c46081be0da04da3e3faa87ebe4d4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.841,
"b": 56.901,
"c": 66.570,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.490,1.170],
"number_observations": 969101,
"number_observations_unique": 134160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 15.390
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.223
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.240,1.170],
"number_observations": 120970,
"number_observations_unique": 20849,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.128
},
{
"type": "R(meas)",
"value": 1.241
},
{
"type": "I/SigI",
"value": 1.440
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 5.802
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [1.330,1.240],
"number_observations": 150288,
"number_observations_unique": 20557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.311
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [1.430,1.330],
"number_observations": 141617,
"number_observations_unique": 19129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 4.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.403
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [1.570,1.430],
"number_observations": 131807,
"number_observations_unique": 17597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 7.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.490
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.760,1.570],
"number_observations": 120692,
"number_observations_unique": 15954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 13.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.565
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.030,1.760],
"number_observations": 106467,
"number_observations_unique": 14022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 25.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.593
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.480,2.030],
"number_observations": 89427,
"number_observations_unique": 11852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 38.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.545
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.500,2.480],
"number_observations": 69217,
"number_observations_unique": 9154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 48.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.561
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.490,3.500],
"number_observations": 38616,
"number_observations_unique": 5046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 57.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.653
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}