Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fd947b5c021635814b80caa1b309c8f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 59.99,
"b": 60.60,
"c": 66.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.91,1.290],
"number_observations_unique": 61671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 17.080
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.844
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.290],
"number_observations_unique": 4463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 3.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.912
}
]
},
{
"resolution_limits": [1.360,1.320],
"number_observations_unique": 4434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 3.940
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.839
}
]
},
{
"resolution_limits": [1.400,1.360],
"number_observations_unique": 4254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 4.740
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.648
}
]
},
{
"resolution_limits": [1.440,1.400],
"number_observations_unique": 4145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.879
}
]
},
{
"resolution_limits": [1.490,1.440],
"number_observations_unique": 4047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.061
}
]
},
{
"resolution_limits": [1.540,1.490],
"number_observations_unique": 3910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 9.140
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.070
}
]
},
{
"resolution_limits": [1.600,1.540],
"number_observations_unique": 3783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 10.970
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.008
}
]
},
{
"resolution_limits": [1.670,1.600],
"number_observations_unique": 3660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 13.280
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.924
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations_unique": 3449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.930
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.521
}
]
},
{
"resolution_limits": [1.820,1.740],
"number_observations_unique": 3354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 19.530
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.106
}
]
},
{
"resolution_limits": [1.920,1.820],
"number_observations_unique": 3195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 23.280
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.996
}
]
},
{
"resolution_limits": [2.040,1.920],
"number_observations_unique": 3044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 26.570
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.903
}
]
},
{
"resolution_limits": [2.180,2.040],
"number_observations_unique": 2827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 29.510
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.777
}
]
},
{
"resolution_limits": [2.360,2.180],
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.780
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.407
}
]
},
{
"resolution_limits": [2.580,2.360],
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.547
}
]
},
{
"resolution_limits": [2.880,2.580],
"number_observations_unique": 2235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 35.980
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.926
}
]
},
{
"resolution_limits": [3.330,2.880],
"number_observations_unique": 1989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 38.270
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.826
}
]
},
{
"resolution_limits": [4.080,3.330],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 39.260
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.627
}
]
},
{
"resolution_limits": [5.770,4.080],
"number_observations_unique": 1322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 39.370
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.543
}
]
},
{
"resolution_limits": [66.91,5.770],
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 40.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.868
}
]
}
]
}