Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26c516b9e2fc99db36366d1af8bab4db",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 94.345,
"b": 94.345,
"c": 188.513,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.030,2.400],
"number_observations_unique": 31980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.690
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.40],
"number_observations": 9429,
"number_observations_unique": 2968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 88.30
},
{
"type": "Redundancy",
"value": 3.17
}
]
},
{
"resolution_limits": [2.59,2.49],
"number_observations": 12575,
"number_observations_unique": 3164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 96.10
},
{
"type": "Redundancy",
"value": 3.96
}
]
},
{
"resolution_limits": [2.70,2.59],
"number_observations": 18500,
"number_observations_unique": 3374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 5.44
}
]
},
{
"resolution_limits": [2.85,2.70],
"number_observations": 22392,
"number_observations_unique": 3339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [3.02,2.85],
"number_observations": 22038,
"number_observations_unique": 3368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.53
}
]
},
{
"resolution_limits": [3.26,3.02],
"number_observations": 21509,
"number_observations_unique": 3392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.33
}
]
},
{
"resolution_limits": [3.58,3.26],
"number_observations": 17533,
"number_observations_unique": 3346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 5.21
}
]
},
{
"resolution_limits": [4.10,3.58],
"number_observations": 11333,
"number_observations_unique": 3159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 91.60
},
{
"type": "Redundancy",
"value": 3.53
}
]
},
{
"resolution_limits": [5.17,4.10],
"number_observations": 7577,
"number_observations_unique": 2767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 80.10
},
{
"type": "Redundancy",
"value": 2.66
}
]
},
{
"resolution_limits": [35.03,5.17],
"number_observations": 8248,
"number_observations_unique": 3103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 84.60
},
{
"type": "Redundancy",
"value": 2.55
}
]
}
]
}