Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3a40234b4fe41844afdc054fb0ed25d",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 45.81,
"b": 45.81,
"c": 48.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.670,1.000],
"number_observations": 327246,
"number_observations_unique": 32230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 18.230
},
{
"type": "Completeness",
"value": 99.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.03,1.00],
"number_observations": 23071,
"number_observations_unique": 2340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.48
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [1.05,1.03],
"number_observations": 23104,
"number_observations_unique": 2331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.36
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.08,1.05],
"number_observations": 22458,
"number_observations_unique": 2258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.29
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.12,1.08],
"number_observations": 22352,
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.22
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.15,1.12],
"number_observations": 21392,
"number_observations_unique": 2105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.17
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.20,1.15],
"number_observations": 20935,
"number_observations_unique": 2050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.15
},
{
"type": "I/SigI",
"value": 14.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.24,1.20],
"number_observations": 20641,
"number_observations_unique": 2004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.29,1.24],
"number_observations": 19793,
"number_observations_unique": 1914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.13
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.35,1.29],
"number_observations": 19225,
"number_observations_unique": 1844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.11
},
{
"type": "I/SigI",
"value": 19.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.41,1.35],
"number_observations": 18213,
"number_observations_unique": 1748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.10
},
{
"type": "I/SigI",
"value": 21.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.49,1.41],
"number_observations": 17733,
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 23.1
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.58,1.49],
"number_observations": 16876,
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.69,1.58],
"number_observations": 15823,
"number_observations_unique": 1499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 27.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.83,1.69],
"number_observations": 14774,
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 28.9
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.00,1.83],
"number_observations": 13715,
"number_observations_unique": 1301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 30.5
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.24,2.00],
"number_observations": 12270,
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 32.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.58,2.24],
"number_observations": 10557,
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 32.6
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [3.16,2.58],
"number_observations": 8247,
"number_observations_unique": 869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 31.6
},
{
"type": "Completeness",
"value": 97.40
}
]
},
{
"resolution_limits": [4.47,3.16],
"number_observations": 4279,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 28.1
},
{
"type": "Completeness",
"value": 79.90
}
]
},
{
"resolution_limits": [39.670,4.47],
"number_observations": 1788,
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 26.2
},
{
"type": "Completeness",
"value": 62.30
}
]
}
]
}