Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a9a35f56828358bd2bdf46bb6b6e88a",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 91.927,
"b": 91.927,
"c": 162.884,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.000,2.750],
"number_observations_unique": 18792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.939
},
{
"type": "I/SigI",
"value": 2.95
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.765
},
{
"type": "I/SigI",
"value": 3.62
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 4.29
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [3.030,2.960],
"number_observations_unique": 911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [3.100,3.030],
"number_observations_unique": 909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [3.170,3.100],
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [3.260,3.170],
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [3.360,3.260],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [3.460,3.360],
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [3.590,3.460],
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [3.730,3.590],
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [3.900,3.730],
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [4.110,3.900],
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [4.360,4.110],
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [4.700,4.360],
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [5.170,4.700],
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [5.920,5.170],
"number_observations_unique": 973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [7.440,5.920],
"number_observations_unique": 988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [35.000,7.440],
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.000
}
]
}
]
}