Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "afbc665b732a63881c1ea2753133117b",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 126.356,
"b": 126.356,
"c": 293.908,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.107,3.060],
"number_observations": 577045,
"number_observations_unique": 45500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 8.560
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.682
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.250,3.060],
"number_observations": 79085,
"number_observations_unique": 7048,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.588
},
{
"type": "R(meas)",
"value": 2.710
},
{
"type": "I/SigI",
"value": 0.750
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 11.221
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [3.470,3.250],
"number_observations": 93131,
"number_observations_unique": 6783,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.740
},
{
"type": "R(meas)",
"value": 1.807
},
{
"type": "I/SigI",
"value": 1.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.730
},
{
"type": "CC(1/2)",
"value": 0.589
}
]
},
{
"resolution_limits": [3.750,3.470],
"number_observations": 81884,
"number_observations_unique": 6361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.910
},
{
"type": "R(meas)",
"value": 0.949
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.873
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [4.100,3.750],
"number_observations": 77322,
"number_observations_unique": 5900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.105
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.580,4.100],
"number_observations": 68239,
"number_observations_unique": 5347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.762
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.280,4.580],
"number_observations": 61760,
"number_observations_unique": 4766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.958
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.450,5.280],
"number_observations": 51440,
"number_observations_unique": 4085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 12.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.592
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [9.050,6.450],
"number_observations": 41105,
"number_observations_unique": 3246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 24.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.663
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [49.107,9.050],
"number_observations": 23079,
"number_observations_unique": 1964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 35.850
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.751
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}