Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7a7ae8ad0ee899d58991fdda002f5fc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.35,
"b": 89.91,
"c": 107.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.007,2.230],
"number_observations": 96049,
"number_observations_unique": 24117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 16.990
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.230],
"number_observations": 2999,
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 2.820
},
{
"type": "Completeness",
"value": 64.800
}
]
},
{
"resolution_limits": [2.350,2.290],
"number_observations": 5836,
"number_observations_unique": 1656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 2.940
},
{
"type": "Completeness",
"value": 93.300
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations": 7184,
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 3.750
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 7051,
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 6881,
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 5.460
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 6460,
"number_observations_unique": 1549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 6.180
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.770,2.660],
"number_observations": 6189,
"number_observations_unique": 1514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 7.420
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.880,2.770],
"number_observations": 6183,
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.010,2.880],
"number_observations": 5878,
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 11.580
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.150,3.010],
"number_observations": 5651,
"number_observations_unique": 1349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 14.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations": 5419,
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.150
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.520,3.320],
"number_observations": 4803,
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 23.420
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.770,3.520],
"number_observations": 4571,
"number_observations_unique": 1136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 28.580
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [4.070,3.770],
"number_observations": 4187,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 32.750
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [4.460,4.070],
"number_observations": 4025,
"number_observations_unique": 994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 40.790
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [4.980,4.460],
"number_observations": 3658,
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 43.960
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [5.760,4.980],
"number_observations": 3195,
"number_observations_unique": 804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 39.870
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [7.050,5.760],
"number_observations": 2598,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 39.960
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [9.970,7.050],
"number_observations": 2152,
"number_observations_unique": 558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 52.680
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [69.007,9.970],
"number_observations": 1129,
"number_observations_unique": 321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 60.760
},
{
"type": "Completeness",
"value": 97.600
}
]
}
]
}