Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc2268e5e552c502f68a5e4a31e18609",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 107.06,
"b": 107.06,
"c": 243.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.00,4.340],
"number_observations": 27646,
"number_observations_unique": 5518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 17.480
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 5.01
}
]
},
"refln_shells": [
{
"resolution_limits": [4.450,4.340],
"number_observations": 290,
"number_observations_unique": 69,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 4.380
},
{
"type": "Completeness",
"value": 16.100
}
]
},
{
"resolution_limits": [4.570,4.450],
"number_observations": 1183,
"number_observations_unique": 235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 56.600
}
]
},
{
"resolution_limits": [4.710,4.570],
"number_observations": 2214,
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.850,4.710],
"number_observations": 2091,
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 5.030
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.010,4.850],
"number_observations": 2018,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 5.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.190,5.010],
"number_observations": 2021,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 6.660
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.380,5.190],
"number_observations": 1883,
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 5.830
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.600,5.380],
"number_observations": 1831,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 7.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.850,5.600],
"number_observations": 1742,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 8.030
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.140,5.850],
"number_observations": 1656,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 9.360
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.470,6.140],
"number_observations": 1621,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.860,6.470],
"number_observations": 1493,
"number_observations_unique": 300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [7.330,6.860],
"number_observations": 1413,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 18.040
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [7.920,7.330],
"number_observations": 1312,
"number_observations_unique": 269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 26.720
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.680,7.920],
"number_observations": 1197,
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 39.830
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [9.700,8.680],
"number_observations": 1077,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 53.520
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [11.200,9.700],
"number_observations": 940,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 55.450
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [13.720,11.200],
"number_observations": 744,
"number_observations_unique": 177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 55.200
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [19.400,13.720],
"number_observations": 633,
"number_observations_unique": 147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 60.800
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [20.0,19.400],
"number_observations": 287,
"number_observations_unique": 81,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 57.620
},
{
"type": "Completeness",
"value": 84.400
}
]
}
]
}