Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f24dc6ce7d9af924518f28d0d7e3c328",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 75.804,
"b": 75.804,
"c": 323.966,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97936],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.450,1.13],
"number_observations_unique": 187091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.16,1.13],
"number_observations": 30488,
"number_observations_unique": 8584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.580
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 58.10
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [1.19,1.16],
"number_observations": 40314,
"number_observations_unique": 10197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 70.70
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [1.23,1.19],
"number_observations": 53826,
"number_observations_unique": 12247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 86.70
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [1.26,1.23],
"number_observations": 69281,
"number_observations_unique": 12994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 94.40
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.30,1.26],
"number_observations": 67216,
"number_observations_unique": 12605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 95.00
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.35,1.30],
"number_observations": 65431,
"number_observations_unique": 12271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 95.40
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.40,1.35],
"number_observations": 63631,
"number_observations_unique": 11946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 95.80
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.46,1.40],
"number_observations": 61592,
"number_observations_unique": 11577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.52,1.46],
"number_observations": 59002,
"number_observations_unique": 11112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.60,1.52],
"number_observations": 56744,
"number_observations_unique": 10716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.68,1.60],
"number_observations": 54582,
"number_observations_unique": 10315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.79,1.68],
"number_observations": 51314,
"number_observations_unique": 9734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [1.91,1.79],
"number_observations": 48555,
"number_observations_unique": 9267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.06,1.91],
"number_observations": 45067,
"number_observations_unique": 8664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.26,2.06],
"number_observations": 41734,
"number_observations_unique": 8079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [2.53,2.26],
"number_observations": 37894,
"number_observations_unique": 7412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [2.92,2.53],
"number_observations": 33388,
"number_observations_unique": 6575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [3.57,2.92],
"number_observations": 28207,
"number_observations_unique": 5636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [5.05,3.57],
"number_observations": 21964,
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [29.45,5.05],
"number_observations": 11750,
"number_observations_unique": 2644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 4.40
}
]
}
]
}