Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "91ec6fc5ec46c6c9edd81aef7b0d662c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.58,
"b": 77.54,
"c": 97.64,
"alpha": 90.00,
"beta": 116.46,
"gamma": 90.00
},
"wavelengths": [1.11587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.740],
"number_observations_unique": 81119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 20.570
},
{
"type": "Completeness",
"value": 99.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 21968,
"number_observations_unique": 5950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 2.370
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations": 21605,
"number_observations_unique": 5832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations": 20986,
"number_observations_unique": 5674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 3.930
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.950,1.890],
"number_observations": 20500,
"number_observations_unique": 5510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 5.320
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 19977,
"number_observations_unique": 5359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 7.190
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 19223,
"number_observations_unique": 5161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 9.160
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.160,2.080],
"number_observations": 18576,
"number_observations_unique": 4967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 11.730
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.250,2.160],
"number_observations": 17902,
"number_observations_unique": 4790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 14.810
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.350,2.250],
"number_observations": 17261,
"number_observations_unique": 4605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 17.110
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.460,2.350],
"number_observations": 16543,
"number_observations_unique": 4416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 20.430
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.590,2.460],
"number_observations": 15692,
"number_observations_unique": 4180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 23.330
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.750,2.590],
"number_observations": 14922,
"number_observations_unique": 3975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 27.320
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.940,2.750],
"number_observations": 13984,
"number_observations_unique": 3732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 32.770
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.180,2.940],
"number_observations": 12902,
"number_observations_unique": 3472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 39.520
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.480,3.180],
"number_observations": 11792,
"number_observations_unique": 3199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 46.620
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.890,3.480],
"number_observations": 10562,
"number_observations_unique": 2912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 53.210
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.490,3.890],
"number_observations": 9036,
"number_observations_unique": 2548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 56.480
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [5.500,4.490],
"number_observations": 8328,
"number_observations_unique": 2189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 59.220
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [7.780,5.500],
"number_observations": 6441,
"number_observations_unique": 1699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 57.650
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [50.0,7.780],
"number_observations": 3408,
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 62.760
},
{
"type": "Completeness",
"value": 98.400
}
]
}
]
}