Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0aeda08865f2e37674a7b0e66e1d21a2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.00,
"b": 81.41,
"c": 55.16,
"alpha": 90.00,
"beta": 98.03,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.450],
"number_observations": 360763,
"number_observations_unique": 87041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 18.040
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 21114,
"number_observations_unique": 6215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 2.220
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [1.530,1.490],
"number_observations": 22642,
"number_observations_unique": 6116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 3.120
},
{
"type": "Completeness",
"value": 95.300
}
]
},
{
"resolution_limits": [1.570,1.530],
"number_observations": 25333,
"number_observations_unique": 6071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 96.000
}
]
},
{
"resolution_limits": [1.620,1.570],
"number_observations": 25007,
"number_observations_unique": 5817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 5.020
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 24462,
"number_observations_unique": 5695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 6.110
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [1.730,1.670],
"number_observations": 23976,
"number_observations_unique": 5574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 7.440
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [1.800,1.730],
"number_observations": 22771,
"number_observations_unique": 5309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 9.640
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [1.870,1.800],
"number_observations": 22017,
"number_observations_unique": 5153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 12.070
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [1.960,1.870],
"number_observations": 21116,
"number_observations_unique": 4948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 14.860
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.050,1.960],
"number_observations": 20233,
"number_observations_unique": 4747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 18.420
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [2.160,2.050],
"number_observations": 19167,
"number_observations_unique": 4519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 23.210
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [2.290,2.160],
"number_observations": 18303,
"number_observations_unique": 4330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 26.810
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [2.450,2.290],
"number_observations": 16935,
"number_observations_unique": 4006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.750
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.650,2.450],
"number_observations": 16121,
"number_observations_unique": 3817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.900,2.650],
"number_observations": 14616,
"number_observations_unique": 3479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 37.940
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [3.240,2.900],
"number_observations": 13435,
"number_observations_unique": 3190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 41.760
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.740,3.240],
"number_observations": 11755,
"number_observations_unique": 2797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 47.450
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [4.590,3.740],
"number_observations": 10003,
"number_observations_unique": 2379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 50.990
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [6.480,4.590],
"number_observations": 7811,
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 50.480
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [50.0,6.480],
"number_observations": 3946,
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 49.770
},
{
"type": "Completeness",
"value": 96.600
}
]
}
]
}