Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7392156ee12653fa5a5dfbc94e8feac9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 71.95,
"b": 91.95,
"c": 69.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25,1.750],
"number_observations": 142408,
"number_observations_unique": 19032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 14.080
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 3.74
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.750],
"number_observations": 11985,
"number_observations_unique": 3222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "I/SigI",
"value": 2.440
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 12626,
"number_observations_unique": 3297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.890,1.840],
"number_observations": 7639,
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 67.700
}
]
},
{
"resolution_limits": [1.950,1.890],
"number_observations": 2277,
"number_observations_unique": 859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.977
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 27.800
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations": 10286,
"number_observations_unique": 2735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 6.480
},
{
"type": "Completeness",
"value": 91.900
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations": 6224,
"number_observations_unique": 1766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 6.670
},
{
"type": "Completeness",
"value": 61.000
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations": 10730,
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 9.510
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.250,2.170],
"number_observations": 7369,
"number_observations_unique": 1968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 10.890
},
{
"type": "Completeness",
"value": 74.100
}
]
},
{
"resolution_limits": [2.350,2.250],
"number_observations": 8482,
"number_observations_unique": 2251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 12.430
},
{
"type": "Completeness",
"value": 87.900
}
]
},
{
"resolution_limits": [2.470,2.350],
"number_observations": 9606,
"number_observations_unique": 2470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 15.090
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.600,2.470],
"number_observations": 9082,
"number_observations_unique": 2337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 17.160
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.760,2.600],
"number_observations": 6229,
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 18.350
},
{
"type": "Completeness",
"value": 76.500
}
]
},
{
"resolution_limits": [2.950,2.760],
"number_observations": 8054,
"number_observations_unique": 2069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 22.370
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.190,2.950],
"number_observations": 7456,
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 24.950
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.490,3.190],
"number_observations": 5371,
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 26.780
},
{
"type": "Completeness",
"value": 80.500
}
]
},
{
"resolution_limits": [3.910,3.490],
"number_observations": 4160,
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 29.080
},
{
"type": "Completeness",
"value": 72.700
}
]
},
{
"resolution_limits": [4.510,3.910],
"number_observations": 5109,
"number_observations_unique": 1336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 31.670
},
{
"type": "Completeness",
"value": 93.500
}
]
},
{
"resolution_limits": [5.520,4.510],
"number_observations": 4631,
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 33.570
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [7.810,5.520],
"number_observations": 3571,
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 32.150
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [25,7.810],
"number_observations": 1521,
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 32.680
},
{
"type": "Completeness",
"value": 86.500
}
]
}
]
}