Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fcb728b48cfaaadc274a4ea180c9f57",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.707,
"b": 58.569,
"c": 66.832,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.420,1.040],
"number_observations": 1101914,
"number_observations_unique": 173623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 18.080
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 6.347
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.040],
"number_observations": 27820,
"number_observations_unique": 12078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 37.700
},
{
"type": "Redundancy",
"value": 2.303
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [1.180,1.110],
"number_observations": 85319,
"number_observations_unique": 25662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 4.430
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 3.325
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.280,1.180],
"number_observations": 176227,
"number_observations_unique": 27984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 8.950
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.297
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.400,1.280],
"number_observations": 189775,
"number_observations_unique": 25776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 13.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.362
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.560,1.400],
"number_observations": 174316,
"number_observations_unique": 23352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 19.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.465
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.800,1.560],
"number_observations": 155327,
"number_observations_unique": 20563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.554
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.210,1.800],
"number_observations": 132754,
"number_observations_unique": 17385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.636
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.110,2.210],
"number_observations": 103649,
"number_observations_unique": 13432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 37.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.717
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [33.420,3.110],
"number_observations": 56727,
"number_observations_unique": 7391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 39.750
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.675
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}