{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "28e9b145254bca231e0a8a2741b8ded0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.98,
"b": 127.17,
"c": 69.69,
"alpha": 90.00,
"beta": 104.49,
"gamma": 90.00
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.050],
"number_observations_unique": 60295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 10.540
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 17243,
"number_observations_unique": 4364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 3.210
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [2.160,2.100],
"number_observations": 18289,
"number_observations_unique": 4323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 3.880
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [2.220,2.160],
"number_observations": 17882,
"number_observations_unique": 4219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 4.270
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.290,2.220],
"number_observations": 16676,
"number_observations_unique": 4054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 5.020
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [2.370,2.290],
"number_observations": 16833,
"number_observations_unique": 3965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 5.610
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [2.450,2.370],
"number_observations": 16443,
"number_observations_unique": 3847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 6.210
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [2.540,2.450],
"number_observations": 15938,
"number_observations_unique": 3739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 6.770
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations": 15242,
"number_observations_unique": 3563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 7.370
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.760,2.650],
"number_observations": 14512,
"number_observations_unique": 3441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 8.650
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.900,2.760],
"number_observations": 14094,
"number_observations_unique": 3322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.060,2.900],
"number_observations": 13185,
"number_observations_unique": 3104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 12.210
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.240,3.060],
"number_observations": 12489,
"number_observations_unique": 2948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 14.410
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.470,3.240],
"number_observations": 11807,
"number_observations_unique": 2809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 16.550
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.740,3.470],
"number_observations": 10846,
"number_observations_unique": 2601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 18.930
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [4.100,3.740],
"number_observations": 9940,
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 21.320
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [4.580,4.100],
"number_observations": 9081,
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [5.290,4.580],
"number_observations": 7906,
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 22.570
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [6.480,5.290],
"number_observations": 6672,
"number_observations_unique": 1618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 20.130
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [9.170,6.480],
"number_observations": 5240,
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 26.040
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [50,9.170],
"number_observations": 2578,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 29.580
},
{
"type": "Completeness",
"value": 89.700
}
]
}
]
}
|