Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5910e379d3c631d8f49d704decbf8ca7",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 46.088,
"b": 45.553,
"c": 113.002,
"alpha": 90.00,
"beta": 100.35,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations": 129249,
"number_observations_unique": 31283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "R(pim)",
"value": 0.243
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 1544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 1517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 1563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 1549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 1570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 1562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 1571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 1592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 1582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 1592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,5.430],
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}