Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc5c1a5c7118db2e4d55738500549650",
"space_group_name": "P 64",
"unit_cell": {
"a": 126.923,
"b": 126.923,
"c": 39.352,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91837,0.97864,0.97817],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.217,1.70],
"number_observations_unique": 40202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 17712,
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 18612,
"number_observations_unique": 2893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 18009,
"number_observations_unique": 2800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 16751,
"number_observations_unique": 2703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 15928,
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 13983,
"number_observations_unique": 2523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 14504,
"number_observations_unique": 2478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 15507,
"number_observations_unique": 2388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 14688,
"number_observations_unique": 2265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 13816,
"number_observations_unique": 2175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 12858,
"number_observations_unique": 2059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 10514,
"number_observations_unique": 1968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 12521,
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 11353,
"number_observations_unique": 1727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 10207,
"number_observations_unique": 1592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 8026,
"number_observations_unique": 1438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 7836,
"number_observations_unique": 1297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 6984,
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 4600,
"number_observations_unique": 857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [25.217,7.600],
"number_observations": 3113,
"number_observations_unique": 489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}