Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6677bc724cce84aca20f0262159c4cf",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.896,
"b": 88.896,
"c": 39.647,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.450,1.030],
"number_observations": 981404,
"number_observations_unique": 298061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.410
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.293
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.090,1.030],
"number_observations": 154676,
"number_observations_unique": 47953,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.320
},
{
"type": "R(meas)",
"value": 1.583
},
{
"type": "I/SigI",
"value": 0.610
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.226
},
{
"type": "CC(1/2)",
"value": 0.449
}
]
},
{
"resolution_limits": [1.170,1.090],
"number_observations": 146361,
"number_observations_unique": 45435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.819
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.221
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [1.260,1.170],
"number_observations": 140999,
"number_observations_unique": 42394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 2.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.326
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [1.380,1.260],
"number_observations": 128914,
"number_observations_unique": 39031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 3.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.303
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [1.540,1.380],
"number_observations": 119935,
"number_observations_unique": 35279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 6.530
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.780,1.540],
"number_observations": 103926,
"number_observations_unique": 31012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 10.680
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.351
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.180,1.780],
"number_observations": 84063,
"number_observations_unique": 25926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.242
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.080,2.180],
"number_observations": 65537,
"number_observations_unique": 19989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 18.830
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.279
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [44.450,3.080],
"number_observations": 36993,
"number_observations_unique": 11042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 20.920
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.350
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}