Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6ec2956d60042f2fe2955bece835288",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.11,
"b": 88.78,
"c": 83.70,
"alpha": 90.00,
"beta": 101.91,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.0,2.8],
"number_observations_unique": 23159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 14.43
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.67
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.800],
"number_observations": 6466,
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 2.660
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.77
}
]
},
{
"resolution_limits": [2.960,2.880],
"number_observations": 6311,
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.040,2.960],
"number_observations": 6181,
"number_observations_unique": 1618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 4.010
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.130,3.040],
"number_observations": 6052,
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 5.340
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.240,3.130],
"number_observations": 5813,
"number_observations_unique": 1524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.350,3.240],
"number_observations": 5741,
"number_observations_unique": 1504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 8.630
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.480,3.350],
"number_observations": 4665,
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 11.060
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [3.620,3.480],
"number_observations": 5118,
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 11.090
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.780,3.620],
"number_observations": 4173,
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 14.460
},
{
"type": "Completeness",
"value": 95.500
}
]
},
{
"resolution_limits": [3.960,3.780],
"number_observations": 4003,
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 16.420
},
{
"type": "Completeness",
"value": 95.600
}
]
},
{
"resolution_limits": [4.180,3.960],
"number_observations": 4517,
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 19.450
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.430,4.180],
"number_observations": 4279,
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 23.280
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.740,4.430],
"number_observations": 3942,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 25.490
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.120,4.740],
"number_observations": 3671,
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 26.830
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [5.610,5.120],
"number_observations": 3468,
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.270,5.610],
"number_observations": 3007,
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 25.230
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.240,6.270],
"number_observations": 2735,
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 27.550
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [8.870,7.240],
"number_observations": 2256,
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 31.510
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [12.540,8.870],
"number_observations": 1801,
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 36.620
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [15.0,12.540],
"number_observations": 928,
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 36.460
},
{
"type": "Completeness",
"value": 97.900
}
]
}
]
}