Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5221b8faf861c2c85aed16411b11e252",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 72.32,
"b": 72.32,
"c": 231.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.63,1.640],
"number_observations": 1230010,
"number_observations_unique": 45113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 13.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 96281,
"number_observations_unique": 6166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.702
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "I/SigI",
"value": 3.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations": 90688,
"number_observations_unique": 5963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "R(meas)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 3.930
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations": 93437,
"number_observations_unique": 5816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 5.270
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations": 89463,
"number_observations_unique": 5657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "I/SigI",
"value": 6.370
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations": 82053,
"number_observations_unique": 5487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 7.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations": 80420,
"number_observations_unique": 5337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 9.710
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 74916,
"number_observations_unique": 5076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 11.670
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.120,2.030],
"number_observations": 70629,
"number_observations_unique": 4938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 13.440
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.210,2.120],
"number_observations": 68431,
"number_observations_unique": 4700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 15.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.320,2.210],
"number_observations": 64869,
"number_observations_unique": 4549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.440,2.320],
"number_observations": 57953,
"number_observations_unique": 4271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 17.220
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.590,2.440],
"number_observations": 57375,
"number_observations_unique": 4060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 19.040
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.770,2.590],
"number_observations": 52383,
"number_observations_unique": 3844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 20.250
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations": 51456,
"number_observations_unique": 3559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 22.050
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.280,2.990],
"number_observations": 45262,
"number_observations_unique": 3262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 22.690
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.670,3.280],
"number_observations": 41053,
"number_observations_unique": 2953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 23.820
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.230,3.670],
"number_observations": 37044,
"number_observations_unique": 2601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 24.610
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.190,4.230],
"number_observations": 34574,
"number_observations_unique": 2213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 25.780
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.330,5.190],
"number_observations": 26595,
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 25.480
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [62.63,7.330],
"number_observations": 15128,
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 26.350
},
{
"type": "Completeness",
"value": 99.700
}
]
}
]
}