Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2abcf2f57421eab01f7d054b885c3f0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.999,
"b": 74.175,
"c": 183.929,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95365],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.257,2.790],
"number_observations": 134842,
"number_observations_unique": 18315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 8.440
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.362
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.960,2.790],
"number_observations_unique": 2880,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.484
},
{
"type": "R(meas)",
"value": 0.999
},
{
"type": "I/SigI",
"value": 1.140
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.208
},
{
"type": "CC(1/2)",
"value": 0.717
}
]
},
{
"resolution_limits": [3.170,2.960],
"number_observations_unique": 2703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "R(meas)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.253
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 3.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.807
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.740,3.420],
"number_observations_unique": 2371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 6.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.664
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.180,3.740],
"number_observations_unique": 2124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 10.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.408
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.820,4.180],
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.012
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.890,4.820],
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 17.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.670
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.270,5.890],
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.066
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [47.257,8.270],
"number_observations_unique": 791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 26.940
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.526
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}