Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c7df656aa52c46a1d1500a7ffa13533f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.892,
"b": 100.870,
"c": 65.384,
"alpha": 90.00,
"beta": 124.88,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.720,2.100],
"number_observations": 134825,
"number_observations_unique": 34865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 12.570
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.867
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.100],
"number_observations": 20657,
"number_observations_unique": 5624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 2.880
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.673
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [2.380,2.230],
"number_observations": 21564,
"number_observations_unique": 5338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 4.610
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.040
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [2.570,2.380],
"number_observations": 19621,
"number_observations_unique": 4930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 6.870
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.980
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.810,2.570],
"number_observations": 17878,
"number_observations_unique": 4568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 9.850
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.914
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.140,2.810],
"number_observations": 14628,
"number_observations_unique": 4048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 13.950
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.614
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.630,3.140],
"number_observations": 14867,
"number_observations_unique": 3653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 21.290
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.070
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.440,3.630],
"number_observations": 12007,
"number_observations_unique": 3047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 26.290
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.941
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.240,4.440],
"number_observations": 8421,
"number_observations_unique": 2337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 27.390
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.603
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [46.720,6.240],
"number_observations": 5182,
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 30.560
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.926
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}