Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94b43350760421fbfece439974cea3fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.615,
"b": 62.664,
"c": 65.951,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11690],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.310],
"number_observations_unique": 51271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 16.0
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations_unique": 2487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [1.360,1.330],
"number_observations_unique": 2540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.380,1.360],
"number_observations_unique": 2521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.410,1.380],
"number_observations_unique": 2530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.440,1.410],
"number_observations_unique": 2528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.480,1.440],
"number_observations_unique": 2570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.510,1.480],
"number_observations_unique": 2530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.550,1.510],
"number_observations_unique": 2557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.600,1.550],
"number_observations_unique": 2561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.650,1.600],
"number_observations_unique": 2581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.710,1.650],
"number_observations_unique": 2564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.780,1.710],
"number_observations_unique": 2598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.860,1.780],
"number_observations_unique": 2590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.960,1.860],
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.080,1.960],
"number_observations_unique": 2610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.240,2.080],
"number_observations_unique": 2606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.470,2.240],
"number_observations_unique": 2634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.820,2.470],
"number_observations_unique": 2616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.560,2.820],
"number_observations_unique": 2640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,3.560],
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}