Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5982bf5a42db3756a038064687d3a006",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.96,
"b": 58.64,
"c": 114.59,
"alpha": 90.00,
"beta": 105.49,
"gamma": 90.00
},
"wavelengths": [0.97246],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.01,1.280],
"number_observations": 708898,
"number_observations_unique": 157018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.420
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.280],
"number_observations": 34363,
"number_observations_unique": 10960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 1.960
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [1.350,1.320],
"number_observations": 53474,
"number_observations_unique": 11479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.990
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.390,1.350],
"number_observations": 50619,
"number_observations_unique": 11205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.430,1.390],
"number_observations": 50699,
"number_observations_unique": 10824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 3.960
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.480,1.430],
"number_observations": 47164,
"number_observations_unique": 10408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 4.550
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [1.530,1.480],
"number_observations": 48573,
"number_observations_unique": 10178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.590,1.530],
"number_observations": 45995,
"number_observations_unique": 9852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 6.130
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.660,1.590],
"number_observations": 43452,
"number_observations_unique": 9410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 6.980
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.730,1.660],
"number_observations": 42239,
"number_observations_unique": 9136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 7.740
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.810,1.730],
"number_observations": 41826,
"number_observations_unique": 8611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 8.980
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.910,1.810],
"number_observations": 37465,
"number_observations_unique": 8041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 9.730
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [2.030,1.910],
"number_observations": 32095,
"number_observations_unique": 7510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 10.590
},
{
"type": "Completeness",
"value": 95.800
}
]
},
{
"resolution_limits": [2.170,2.030],
"number_observations": 32704,
"number_observations_unique": 7247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.340,2.170],
"number_observations": 28095,
"number_observations_unique": 6222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 12.980
},
{
"type": "Completeness",
"value": 90.100
}
]
},
{
"resolution_limits": [2.560,2.340],
"number_observations": 30397,
"number_observations_unique": 6274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.870,2.560],
"number_observations": 25904,
"number_observations_unique": 5701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.830
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [3.310,2.870],
"number_observations": 22732,
"number_observations_unique": 4988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [4.050,3.310],
"number_observations": 17450,
"number_observations_unique": 3845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 88.900
}
]
},
{
"resolution_limits": [5.730,4.050],
"number_observations": 14706,
"number_observations_unique": 3261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.770
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [48.01,5.730],
"number_observations": 8946,
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 13.060
},
{
"type": "Completeness",
"value": 98.900
}
]
}
]
}