Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2b8421b895d13d0ac0044209c55fb72",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.030,
"b": 109.712,
"c": 129.337,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.6370],
"number_observations_unique": 86051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.640],
"number_observations_unique": 8402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.770,1.700],
"number_observations_unique": 8425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.850,1.770],
"number_observations_unique": 8509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.940,1.850],
"number_observations_unique": 8568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.070,1.940],
"number_observations_unique": 8613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.230,2.070],
"number_observations_unique": 8616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.450,2.230],
"number_observations_unique": 8717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.800,2.450],
"number_observations_unique": 8749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.530,2.800],
"number_observations_unique": 8768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [50.000,3.530],
"number_observations_unique": 8684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}