Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fdfb5455ec00a1c1c8f4a6d4e2a31406",
"space_group_name": "P 1",
"unit_cell": {
"a": 25.604,
"b": 27.932,
"c": 28.668,
"alpha": 110.03,
"beta": 114.81,
"gamma": 95.76
},
"wavelengths": [0.91962],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.150,1.400],
"number_observations": 43501,
"number_observations_unique": 12164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 12.580
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.576
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.400],
"number_observations": 3121,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 7.070
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.711
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.470,1.430],
"number_observations": 3269,
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 7.620
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.698
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.520,1.470],
"number_observations": 3038,
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 8.210
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.656
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [1.560,1.520],
"number_observations": 2966,
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 8.760
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.604
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.610,1.560],
"number_observations": 2792,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.468
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations": 2462,
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 10.480
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.287
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.730,1.670],
"number_observations": 2790,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 12.190
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.666
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.800,1.730],
"number_observations": 2752,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 13.410
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.734
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.880,1.800],
"number_observations": 2512,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.716
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.980,1.880],
"number_observations": 2495,
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.658
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.080,1.980],
"number_observations": 2254,
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 14.930
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.589
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.210,2.080],
"number_observations": 2130,
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 15.330
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.503
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.360,2.210],
"number_observations": 1814,
"number_observations_unique": 568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.080
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.194
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.550,2.360],
"number_observations": 1947,
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 16.940
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.653
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.790,2.550],
"number_observations": 1813,
"number_observations_unique": 487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 17.370
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.723
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.120,2.790],
"number_observations": 1584,
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 17.480
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.592
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.610,3.120],
"number_observations": 1389,
"number_observations_unique": 395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 17.990
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.516
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.420,3.610],
"number_observations": 987,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.163
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [6.250,4.420],
"number_observations": 891,
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 18.020
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.494
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [25.150,6.250],
"number_observations": 495,
"number_observations_unique": 148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 17.530
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.345
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}