Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63f3eee8add2883b7e845bfa70c2ab61",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 144.205,
"b": 68.173,
"c": 106.800,
"alpha": 90.00,
"beta": 95.26,
"gamma": 90.00
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.780,2.960],
"number_observations": 60822,
"number_observations_unique": 21184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 18.510
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.871
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,2.960],
"number_observations": 12528,
"number_observations_unique": 4545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 2.680
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.756
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [3.540,3.210],
"number_observations": 12683,
"number_observations_unique": 4250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 6.820
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.984
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [4.070,3.540],
"number_observations": 11967,
"number_observations_unique": 4177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 15.460
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.865
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.960,4.070],
"number_observations": 10833,
"number_observations_unique": 3689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 29.830
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.937
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.280,4.960],
"number_observations": 6371,
"number_observations_unique": 2266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 30.420
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.812
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.070,6.280],
"number_observations": 3532,
"number_observations_unique": 1193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 42.140
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.961
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.770,8.070],
"number_observations": 1918,
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 52.080
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.701
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [18.840,11.770],
"number_observations": 748,
"number_observations_unique": 266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 56.910
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.812
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.780,18.840],
"number_observations": 242,
"number_observations_unique": 88,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 57.770
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 2.750
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}