Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f583618a96be4d17f4d02490f8b104a",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 62.088,
"b": 127.522,
"c": 51.509,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97971,0.97956],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.989,2.32],
"number_observations_unique": 18395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.32],
"number_observations": 4674,
"number_observations_unique": 1329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.45,2.38],
"number_observations": 4619,
"number_observations_unique": 1322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.52,2.45],
"number_observations": 4329,
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.59,2.52],
"number_observations": 4392,
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.68,2.59],
"number_observations": 4163,
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.77,2.68],
"number_observations": 4036,
"number_observations_unique": 1150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.88,2.77],
"number_observations": 4000,
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.00,2.88],
"number_observations": 3689,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.13,3.00],
"number_observations": 3638,
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.28,3.13],
"number_observations": 3444,
"number_observations_unique": 989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.46,3.28],
"number_observations": 3310,
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.67,3.46],
"number_observations": 3147,
"number_observations_unique": 905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.92,3.67],
"number_observations": 2870,
"number_observations_unique": 834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [4.24,3.92],
"number_observations": 2751,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [4.64,4.24],
"number_observations": 2489,
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [5.19,4.64],
"number_observations": 2254,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [5.99,5.19],
"number_observations": 1981,
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [7.34,5.99],
"number_observations": 1715,
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [10.38,7.34],
"number_observations": 1312,
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [28.99,10.38],
"number_observations": 651,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 95.40
},
{
"type": "Redundancy",
"value": 2.80
}
]
}
]
}