Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bdd644d96194747b114ce329839563af",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.521,
"b": 120.883,
"c": 122.626,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.043,1.600],
"number_observations": 491165,
"number_observations_unique": 74825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 13.420
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.564
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 73936,
"number_observations_unique": 11766,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.658
},
{
"type": "R(meas)",
"value": 2.897
},
{
"type": "I/SigI",
"value": 0.660
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.284
},
{
"type": "CC(1/2)",
"value": 0.276
}
]
},
{
"resolution_limits": [1.810,1.690],
"number_observations": 74448,
"number_observations_unique": 11241,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.443
},
{
"type": "R(meas)",
"value": 1.565
},
{
"type": "I/SigI",
"value": 1.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.623
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [1.960,1.810],
"number_observations": 73018,
"number_observations_unique": 10525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.812
},
{
"type": "I/SigI",
"value": 2.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.938
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [2.140,1.960],
"number_observations": 65900,
"number_observations_unique": 9684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 5.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.805
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.390,2.140],
"number_observations": 55823,
"number_observations_unique": 8793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 10.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.349
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.760,2.390],
"number_observations": 52001,
"number_observations_unique": 7834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 18.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.638
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.380,2.760],
"number_observations": 45130,
"number_observations_unique": 6683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 32.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.753
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.770,3.380],
"number_observations": 31812,
"number_observations_unique": 5243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 50.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.068
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.043,4.770],
"number_observations": 19097,
"number_observations_unique": 3056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 58.470
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.249
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}