Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5447ba9d8a92627e563569c9cd8bee58",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.0,
"b": 66.0,
"c": 204.0,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.330,1.800],
"number_observations": 478465,
"number_observations_unique": 77334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.060
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"number_observations": 18396,
"number_observations_unique": 6213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 79.000
},
{
"type": "Redundancy",
"value": 2.890
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations": 25120,
"number_observations_unique": 7150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.380
}
]
},
{
"resolution_limits": [2.030,1.940],
"number_observations": 34265,
"number_observations_unique": 7756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.180
}
]
},
{
"resolution_limits": [2.130,2.030],
"number_observations": 50027,
"number_observations_unique": 7850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.920
}
]
},
{
"resolution_limits": [2.270,2.130],
"number_observations": 56073,
"number_observations_unique": 7916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.040
}
]
},
{
"resolution_limits": [2.440,2.270],
"number_observations": 57549,
"number_observations_unique": 7966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.180
}
]
},
{
"resolution_limits": [2.690,2.440],
"number_observations": 58452,
"number_observations_unique": 7957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.310
}
]
},
{
"resolution_limits": [3.080,2.690],
"number_observations": 59202,
"number_observations_unique": 7994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.360
}
]
},
{
"resolution_limits": [3.880,3.080],
"number_observations": 59566,
"number_observations_unique": 8110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.280
}
]
},
{
"resolution_limits": [47.330,3.880],
"number_observations": 59815,
"number_observations_unique": 8422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.010
}
]
}
]
}