Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f97d1ac007d400a863be172b3a35e922",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 160.517,
"b": 160.517,
"c": 681.326,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [136.206,4.200],
"number_observations_unique": 25305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [4.310,4.200],
"number_observations": 13279,
"number_observations_unique": 1855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.868
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.430,4.310],
"number_observations": 12764,
"number_observations_unique": 1783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.721
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.560,4.430],
"number_observations": 12478,
"number_observations_unique": 1756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [4.700,4.560],
"number_observations": 12080,
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [4.850,4.700],
"number_observations": 11686,
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [5.020,4.850],
"number_observations": 11335,
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [5.210,5.020],
"number_observations": 10792,
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [5.420,5.210],
"number_observations": 10369,
"number_observations_unique": 1479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [5.660,5.420],
"number_observations": 10120,
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [5.940,5.660],
"number_observations": 9512,
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [6.260,5.940],
"number_observations": 8855,
"number_observations_unique": 1284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [6.640,6.260],
"number_observations": 8424,
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [7.100,6.640],
"number_observations": 7748,
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [7.670,7.100],
"number_observations": 7090,
"number_observations_unique": 1092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [8.400,7.670],
"number_observations": 6043,
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [9.390,8.400],
"number_observations": 6241,
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [10.840,9.390],
"number_observations": 5743,
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [13.280,10.840],
"number_observations": 4877,
"number_observations_unique": 701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [18.780,13.280],
"number_observations": 3712,
"number_observations_unique": 555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [136.206,18.780],
"number_observations": 1927,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.800
}
]
}
]
}