Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08080a11d31bacea5aa03587bce1d755",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.53,
"b": 44.40,
"c": 61.98,
"alpha": 90.00,
"beta": 99.97,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.907,1.930],
"number_observations_unique": 20256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 25.070
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.736
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.720
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 5.040
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.727
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 6.090
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.724
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.160,2.090],
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 7.820
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.749
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.230,2.160],
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.729
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.310,2.230],
"number_observations_unique": 1296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 10.940
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.730
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.480
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.754
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 15.610
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.739
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.600,2.490],
"number_observations_unique": 1150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 17.590
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.730
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.730,2.600],
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.753
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.880,2.730],
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 26.750
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.761
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.050,2.880],
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 33.760
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.737
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.260,3.050],
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 41.750
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.721
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.520,3.260],
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 51.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.746
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.860,3.520],
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 59.270
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.754
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.320,3.860],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 65.320
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.728
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.980,4.320],
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 70.740
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.727
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.100,4.980],
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 66.440
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.756
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [8.630,6.100],
"number_observations_unique": 417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 70.210
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.736
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [35.907,8.630],
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 79.760
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.619
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}