Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cb2eb100023fb1e89baf8f311d36156",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.119,
"b": 59.908,
"c": 38.477,
"alpha": 90.00,
"beta": 95.03,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.700],
"number_observations_unique": 15561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 13.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [2.910,2.700],
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [3.200,2.910],
"number_observations_unique": 796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [4.610,3.660],
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [50.000,4.610],
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.7
}
]
}
]
}