Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3200a50deb3312ebe4a7fe8c527ac301",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 47.040,
"b": 47.040,
"c": 125.966,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97895],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.770],
"number_observations_unique": 14530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [1.950,1.910],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [2.040,1.990],
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.100,2.040],
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [2.160,2.100],
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [2.230,2.160],
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [2.310,2.230],
"number_observations_unique": 705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [2.400,2.310],
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [2.510,2.400],
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [2.640,2.510],
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [2.810,2.640],
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.030,2.810],
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [3.330,3.030],
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [3.810,3.330],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [4.800,3.810],
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [50.000,4.800],
"number_observations_unique": 854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
}
]
}