Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b1800b3ecf701f86704ff16300aa5c7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 76.018,
"b": 104.451,
"c": 109.800,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.609],
"number_observations_unique": 111552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.609],
"number_observations_unique": 5129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 5258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 5283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 5423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.770,1.730],
"number_observations_unique": 5425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.810,1.770],
"number_observations_unique": 5475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.860,1.810],
"number_observations_unique": 5588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.910,1.860],
"number_observations_unique": 5549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 5641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations_unique": 5608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.100,2.030],
"number_observations_unique": 5644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.180,2.100],
"number_observations_unique": 5652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.280,2.180],
"number_observations_unique": 5668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.400,2.280],
"number_observations_unique": 5677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.560,2.400],
"number_observations_unique": 5705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.750,2.560],
"number_observations_unique": 5702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.030,2.750],
"number_observations_unique": 5725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.470,3.030],
"number_observations_unique": 5750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [4.370,3.470],
"number_observations_unique": 5781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [30.000,4.370],
"number_observations_unique": 5869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.800
}
]
}
]
}