Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c811cb393653a6bc9f353666de423d04",
"space_group_name": "P 41",
"unit_cell": {
"a": 71.89,
"b": 71.89,
"c": 33.54,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,1.600],
"number_observations_unique": 22798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 20.110
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 15.15
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 24631,
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [1.690,1.640],
"number_observations": 24810,
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations": 24378,
"number_observations_unique": 1589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 8.860
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations": 23517,
"number_observations_unique": 1562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 10.350
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 22179,
"number_observations_unique": 1508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 13.040
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.910,1.850],
"number_observations": 22672,
"number_observations_unique": 1410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [1.980,1.910],
"number_observations": 21896,
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 18.550
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.060,1.980],
"number_observations": 20737,
"number_observations_unique": 1342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 21.070
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.160,2.060],
"number_observations": 19065,
"number_observations_unique": 1294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 23.040
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.260,2.160],
"number_observations": 18458,
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 25.710
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [2.380,2.260],
"number_observations": 18958,
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 27.820
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.530,2.380],
"number_observations": 17279,
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 28.660
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.700,2.530],
"number_observations": 15897,
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 29.790
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.920,2.700],
"number_observations": 14105,
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 30.220
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [3.200,2.920],
"number_observations": 14036,
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 32.280
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.580,3.200],
"number_observations": 12510,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 32.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.130,3.580],
"number_observations": 9952,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 31.340
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [5.060,4.130],
"number_observations": 9465,
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 32.980
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [7.150,5.060],
"number_observations": 7257,
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 32.360
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [100,7.150],
"number_observations": 3669,
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 30.590
},
{
"type": "Completeness",
"value": 96.500
}
]
}
]
}