Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "298fb69033dd32dc4eeb462f054ad19c",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.53,
"b": 109.19,
"c": 134.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.97,2.050],
"number_observations_unique": 29584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 16.410
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.10,2.05],
"number_observations": 8238,
"number_observations_unique": 2232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 85.80
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [2.16,2.10],
"number_observations": 12590,
"number_observations_unique": 2169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.22,2.16],
"number_observations": 12617,
"number_observations_unique": 2098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.29,2.22],
"number_observations": 6540,
"number_observations_unique": 1501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 72.60
}
]
},
{
"resolution_limits": [2.37,2.29],
"number_observations": 12165,
"number_observations_unique": 2006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.45,2.37],
"number_observations": 11729,
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.54,2.45],
"number_observations": 11359,
"number_observations_unique": 1873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.65,2.54],
"number_observations": 11067,
"number_observations_unique": 1815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.76,2.65],
"number_observations": 9676,
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [2.90,2.76],
"number_observations": 10144,
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.06,2.90],
"number_observations": 9511,
"number_observations_unique": 1569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.24,3.06],
"number_observations": 8936,
"number_observations_unique": 1489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 21.9
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.47,3.24],
"number_observations": 7921,
"number_observations_unique": 1405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 26.4
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [3.74,3.47],
"number_observations": 6947,
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 30.5
},
{
"type": "Completeness",
"value": 97.40
}
]
},
{
"resolution_limits": [4.10,3.74],
"number_observations": 6251,
"number_observations_unique": 1182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.7
},
{
"type": "Completeness",
"value": 97.40
}
]
},
{
"resolution_limits": [4.58,4.10],
"number_observations": 6289,
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 39.4
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [5.29,4.58],
"number_observations": 5550,
"number_observations_unique": 980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 42.2
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [6.48,5.29],
"number_observations": 4760,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 39.0
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [9.17,6.48],
"number_observations": 3791,
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 44.0
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [36.970,9.17],
"number_observations": 1974,
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 45.4
},
{
"type": "Completeness",
"value": 93.20
}
]
}
]
}