{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05f9799b47948e5553e3a79539684bdb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 78.16,
"b": 84.48,
"c": 74.02,
"alpha": 90.00,
"beta": 120.81,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.700],
"number_observations_unique": 44869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 47.790
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 11.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 13235,
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 7.520
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 17985,
"number_observations_unique": 3221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 9.350
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 18604,
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 11.520
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 18208,
"number_observations_unique": 2974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 12.150
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 18376,
"number_observations_unique": 2927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 20.090
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 21085,
"number_observations_unique": 2808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.690
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 26125,
"number_observations_unique": 2808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 31.220
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 30891,
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 38.910
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 30437,
"number_observations_unique": 2539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 47.260
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 32325,
"number_observations_unique": 2397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 51.360
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 33086,
"number_observations_unique": 2314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 60.660
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.690,2.530],
"number_observations": 32838,
"number_observations_unique": 2217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 67.930
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.870,2.690],
"number_observations": 36100,
"number_observations_unique": 2096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 79.140
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 36117,
"number_observations_unique": 1933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 88.940
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.400,3.100],
"number_observations": 33824,
"number_observations_unique": 1811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 97.420
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.800,3.400],
"number_observations": 28201,
"number_observations_unique": 1610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 103.470
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.390,3.800],
"number_observations": 26836,
"number_observations_unique": 1438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 115.770
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [5.380,4.390],
"number_observations": 22618,
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 122.080
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [7.600,5.380],
"number_observations": 17567,
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 114.630
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [50,7.600],
"number_observations": 9211,
"number_observations_unique": 536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 123.440
},
{
"type": "Completeness",
"value": 98.000
}
]
}
]
}
|